SCHEMBL4449688

SCHEMBL4449688

N#CC(c1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX5 P09917 1/20 0.47
AKR1C3 P42330 2/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 2/20 0.43
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL13886757 1.00 PTGS1 (0.50) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL4453589 0.87 LTA4H (0.48) AKR1C3TSHRLTA4HALDH1A1LMNA
SCHEMBL952648 0.84 CASR (0.48) AKR1C3ALDH1A1AKR1C1GAA
SCHEMBL9664012 0.84 ALOX5 (0.55) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL24106552 0.81 PTGS1 (0.57) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL192456 0.81 TSHR (0.60) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL1677135 0.81 TSHR (0.60) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL10905926 0.81 PTGS1 (0.49) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL7191294 0.81 PTGS1 (0.53) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL10746067 0.81 PTGS1 (0.53) PTGS1MEN1KMT2ACYP2D6ALOX5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
EP-1625111-A4 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2007-04-25 EP disclosed
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-16 US disclosed
EP-1625111-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-15 EP disclosed
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-05 US disclosed
WO-2004093800-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-11-04 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB PTGS1 592/4885MEN1 179/4885KMT2A 4034/4885
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB PTGS1 594/4885MEN1 185/4885KMT2A 3934/4885
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB PTGS1 592/4885MEN1 179/4885KMT2A 4034/4885

“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.