SCHEMBL2804301

SCHEMBL2804301

COc1ccc(Br)cc1S(=O)(=O)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
ALPL P05186 3/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
HMOX1 P09601 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2806833 0.90 KMT2A (0.49) ALDH1A1KMT2AMEN1FGFR1FGFR2
SCHEMBL2805110 0.86 MAPT (0.37) FGFR1FGFR2L3MBTL1MAPT
SCHEMBL2802616 0.85 EPHX2 (0.39) HTTFGFR1FGFR2TSHRLMNA
SCHEMBL2805945 0.84 MCOLN3 (0.48) GAAALDH1A1KMT2ASMN1; SMN2FGFR1
SCHEMBL2806269 0.84 MKNK1 (0.42) ALDH1A1KMT2AHTTFGFR1FGFR2
SCHEMBL2802827 0.84 CYP3A4 (0.56) ALDH1A1SMN1; SMN2TSHRPOLBMAPT
SCHEMBL2806192 0.81 CYP3A4 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2FGFR1
SCHEMBL2803927 0.81 PKM (0.41) KMT2AMEN1FGFR1FGFR2MAPT
SCHEMBL2802910 0.79 PKM (0.52) ALDH1A1ALOX15KMT2AMEN1SMN1; SMN2
SCHEMBL12316157 0.78 SGK1 (0.35) GAAALDH1A1SMN1; SMN2TSHRMAPT

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 GAA 997/4885ALDH1A1 460/4885ALOX15 1662/4885

“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.