SCHEMBL2804968

SCHEMBL2804968

O=S(=O)(c1cccs1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MKNK1 Q9BUB5 10/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
MET P08581 1/20 0.42
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2486484 0.82 MEN1 (0.51) PKMSMN1; SMN2ALDH1A1KDM4ESCN9A
SCHEMBL2806936 0.82 L3MBTL1 (0.54) TSHRMAPK1PKMSMN1; SMN2ALDH1A1
SCHEMBL2802509 0.81 F10 (0.42) TSHRMAPK1SMN1; SMN2L3MBTL1SCN9A
SCHEMBL2803265 0.81 SCN9A (0.37) TSHRMAPK1SMN1; SMN2SCN9AKMT2A
SCHEMBL2804907 0.80 HTR6 (0.41) TSHRMAPK1USP2L3MBTL1SCN9A
SCHEMBL2807747 0.80 PKM (0.44) PKMALDH1A1METL3MBTL1SCN9A
SCHEMBL2805453 0.80 MET (0.46) SMN1; SMN2METSCN9AKMT2A
SCHEMBL2805150 0.79 ALOX5AP (0.39) MAPK1L3MBTL1SCN9AKMT2A
SCHEMBL2803967 0.79 HTR6 (0.43) TSHRMAPK1SMN1; SMN2ALDH1A1USP2
SCHEMBL2802866 0.79 KMT2A (0.55) MAPK1PKMALDH1A1KDM4EL3MBTL1

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 TSHR 4751/4885MAPK1 3253/4885PKM 1722/4885

“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.