SCHEMBL2803941

SCHEMBL2803941

Cc1ccc(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.41
TBXA2R P21731 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
PNMT P11086 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RB1 P06400 1/20 0.37
PIK3CD O00329 3/20 0.36
PIK3CG P48736 3/20 0.36
PIK3CB P42338 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL2804144 0.92 TBXA2R (0.42) ALDH1A1TBXA2RHDAC8LMNA
SCHEMBL2804951 0.90 ALDH1A1 (0.44) ALDH1A1HTTTBXA2RSMN1; SMN2RB1
SCHEMBL2805214 0.88 FBP1 (0.39) ALDH1A1HTTTBXA2RPNMTHDAC8
SCHEMBL2803517 0.88 RB1 (0.40) ALDH1A1TBXA2RSMN1; SMN2PNMTRB1
SCHEMBL2807111 0.87 KMT2A (0.50) ALDH1A1HTTTBXA2RPNMTGAA
SCHEMBL2808103 0.87 HDAC8 (0.49) ALDH1A1TBXA2RSMN1; SMN2PNMTRB1
SCHEMBL2808034 0.86 HDAC8 (0.52) ALDH1A1HTTSMN1; SMN2GAAHDAC8
SCHEMBL2803951 0.86 BRD4 (0.39) SMN1; SMN2
SCHEMBL2805699 0.85 RB1 (0.52) TBXA2RRB1HDAC8
SCHEMBL2489862 0.85 RB1 (0.43) ALDH1A1TBXA2RSMN1; SMN2PNMTGAA

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 ALDH1A1 460/4885HTT 1191/4885TBXA2R 947/4885

“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.