SCHEMBL2803283

SCHEMBL2803283

Cc1ccc(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
SGK1 O00141 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
PAK1 Q13153 2/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
FSCN1 Q16658 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL2803951 0.92 BRD4 (0.39) L3MBTL1KMT2ASGK1SMN1; SMN2MEN1
SCHEMBL2806698 0.90 HDAC8 (0.40) KMT2ASGK1SMN1; SMN2MEN1TSHR
SCHEMBL2805137 0.89 L3MBTL1 (0.44) L3MBTL1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL2806444 0.89 SGK1 (0.47) L3MBTL1SGK1
SCHEMBL2807827 0.88 PAK1 (0.36) KMT2ASGK1PAK1BRD4
SCHEMBL2802723 0.87 PAK1 (0.37) KMT2AMEN1PAK1
SCHEMBL2804951 0.86 ALDH1A1 (0.44) SMN1; SMN2TSHRPAK1
SCHEMBL2809138 0.85 MEN1 (0.42) KMT2ASGK1SMN1; SMN2MEN1TSHR
SCHEMBL2806231 0.85 KDM4E (0.37) PAK1
SCHEMBL2802832 0.85 USP30 (0.43) SGK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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 (1 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 L3MBTL1 4308/4885KMT2A 1795/4885NCOA3 416/4885

“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.