SCHEMBL5650140

SCHEMBL5650140

CN(C)c1cccc2c(S(=O)(=O)N3CCNCC3)cccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.77
ATM Q13315 1/20 0.77
CYP3A4 P08684 4/20 0.60
NFKB1 P19838 3/20 0.60
CYP1A2 P05177 3/20 0.60
TP53 P04637 2/20 0.60
CYP2D6 P10635 2/20 0.60
MAPK1 P28482 2/20 0.60
MYLK Q15746 2/20 0.60
MEN1 O00255 1/20 0.60
CYP2C9 P11712 1/20 0.60
LMNA P02545 3/20 0.59
ROCK1 Q13464 3/20 0.59
GMNN O75496 2/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 2/20 0.59
CYP2C19 P33261 2/20 0.59
MTOR P42345 1/20 0.59
RAB9A P51151 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL31033068 1.00 KMT2A (0.77) KMT2AATMCYP3A4NFKB1CYP1A2
SCHEMBL19856464 0.99 KMT2A (0.75) KMT2AATMCYP3A4NFKB1CYP1A2
SCHEMBL18138090 0.99 KMT2A (0.75) KMT2AATMCYP3A4NFKB1CYP1A2
SCHEMBL29437927 0.90 KMT2A (0.88) KMT2AATMCYP1A2MEN1CYP2C19
SCHEMBL25531 0.90 KMT2A (0.88) KMT2AATMCYP1A2MEN1CYP2C19
SCHEMBL15934204 0.84 KMT2A (0.79) KMT2AATMCYP1A2MEN1LMNA
SCHEMBL14256516 0.82 KMT2A (0.75) KMT2AATMCYP1A2MEN1CYP2C19
SCHEMBL12604576 0.82 KMT2A (0.75) KMT2AATMCYP1A2MEN1CYP2C19
SCHEMBL29678142 0.82 KMT2A (0.70) KMT2AATMCYP1A2CYP2C19HIF1A
SCHEMBL32677285 0.81 KMT2A (0.74) KMT2AATMCYP1A2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112697897-B Derivatization reagent and application thereof 中国药科大学 2022-09-23 CN disclosed
CN-112697897-A Derivatization reagent and application thereof 中国药科大学 2021-04-23 CN disclosed
US-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof UNIVERSITY OF OTTAWA (CA) 2021-01-19 US disclosed
EP-3442533-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF University Of Ottawa (CA) 2019-02-20 EP disclosed
WO-2017179018-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2017-10-19 WO disclosed
WO-2017179018-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2017-10-19 WO disclosed
US-9173946-B2 Bifunctional hydroxy-bisphosphonic acid derivatives ATLANTHERA (FR) 2015-11-03 US disclosed
US-9173946-B2 Bifunctional hydroxy-bisphosphonic acid derivatives ATLANTHERA (FR) 2015-11-03 US disclosed
US-9040513-B2 Process for preparing platinum-carbene complexes CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-05-26 US disclosed
US-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2014-03-27 US disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
US-20030068275-A1 Coordination complexes for detecting analytes, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-04-10 US disclosed
EP-0836597-A1 N-SUBSTITUTED PIPERAZINE NONOATES THE UNITED STATES OF AMERICA (US) 1998-04-22 EP disclosed
US-5721365-A N-substituted piperazine NONOates HEALTH AND HUMAN SERVICES, DEPARTMENT OF, UNITED STATES, AS REPRESENTED BY ITS SECRETARY 1998-02-24 US disclosed
WO-1996040665-A1 N-SUBSTITUTED PIPERAZINE NONOATES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-12-19 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 (5 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-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES BPGM, PHPT1, PTH1R KMT2A 4053/4885ATM 4849/4885CYP3A4 3864/4885
US-20030068275-A1 Coordination complexes for detecting analytes, and methods of making and using the same SPR, CACYBP, CA13 KMT2A 3832/4885ATM 3264/4885CYP3A4 483/4885
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL KMT2A 4150/4885ATM 1011/4885CYP3A4 2474/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL KMT2A 4322/4885ATM 1103/4885CYP3A4 2867/4885
US-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof TGM2, TGM1, TGM3 KMT2A 497/4885ATM 3030/4885CYP3A4 2475/4885

“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.