SCHEMBL2241114

SCHEMBL2241114

COc1cccc(N)c1C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.63
TP53 P04637 1/20 0.63
GLA P06280 1/20 0.63
ALDH1A1 P00352 5/20 0.62
GAA P10253 1/20 0.62
TAAR1 Q96RJ0 1/20 0.60
NSD2 O96028 2/20 0.55
KDM4E B2RXH2 3/20 0.54
RCE1 Q9Y256 1/20 0.54
USP2 O75604 1/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APLNR P35414 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2240872 0.80 PPIA (0.61) HPGDALDH1A1NSD2KDM4EKMT2A
SCHEMBL14454229 0.78 TSHR (0.62) HPGDALDH1A1NSD2KDM4EKMT2A
SCHEMBL22720198 0.78 TSHR (0.55) HPGDTP53ALDH1A1GAAKDM4E
SCHEMBL27604453 0.78 HPGD (1.00) HPGDTP53GLAALDH1A1GAA
SCHEMBL28729066 0.78 HPGD (0.68) HPGDTP53GLAALDH1A1NSD2
SCHEMBL1558671 0.77 CA12 (0.52) HPGDALDH1A1GAATAAR1KDM4E
SCHEMBL1558070 0.77 CA12 (0.52) HPGDALDH1A1GAATAAR1KDM4E
SCHEMBL31740895 0.77 ALDH1A1 (0.58) HPGDTP53GLAALDH1A1GAA
SCHEMBL13175594 0.77 L3MBTL1 (0.68) HPGDTP53GLAALDH1A1USP2
SCHEMBL3185330 0.76 HPGD (0.78) HPGDTP53GLAALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458141-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-04 US disclosed
US-9458141-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-04 US disclosed
US-9458141-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-04 US disclosed
US-9296729-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-29 US disclosed
US-9296729-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-29 US disclosed
US-9296729-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-29 US disclosed
US-20160024023-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF 2016-01-28 US disclosed
US-20160024023-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF 2016-01-28 US disclosed
US-20160024023-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF 2016-01-28 US disclosed
US-9187457-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-8741259-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists FORSCHUNGSVERBUND BERLIN E.V. (DE) 2014-06-03 US disclosed
US-20130251631-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2013-09-26 US disclosed
US-20130251631-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2013-09-26 US disclosed
US-20130251631-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2013-09-26 US disclosed
EP-2358684-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2011-08-24 EP disclosed
US-20110195018-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-08-11 US disclosed
US-20110195018-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-08-11 US disclosed
US-20110195018-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-08-11 US disclosed
WO-2010047674-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-04-29 WO disclosed
WO-2010047674-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-04-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160024023-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS TSHR, THRA, TRHR HPGD 976/4885TP53 917/4885GLA 2875/4885
US-20110195018-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS TSHR, THRA, TRHR HPGD 976/4885TP53 917/4885GLA 2875/4885
US-20130251631-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS TSHR, THRA, TRHR HPGD 976/4885TP53 917/4885GLA 2875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.