SCHEMBL2806833

SCHEMBL2806833

COc1ccc(OC)c(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42

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
SCHEMBL2804301 0.90 GAA (0.50) KMT2AALDH1A1L3MBTL1TSHRMEN1
SCHEMBL2802910 0.85 PKM (0.52) KMT2AALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL2805945 0.85 MCOLN3 (0.48) KMT2AALDH1A1TSHRPKMMAPT
SCHEMBL2802827 0.85 CYP3A4 (0.56) ALDH1A1KDM4ETSHRPKMMAPT
SCHEMBL2804355 0.84 AKR1C3 (0.47) ALDH1A1TSHRPKM
SCHEMBL2806192 0.82 CYP3A4 (0.46) KMT2AALDH1A1PKMMEN1MAPT
SCHEMBL2804197 0.79 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL2802794 0.79 SMN1; SMN2 (0.41) KMT2AALDH1A1KDM4ETSHRMAPT
SCHEMBL2805150 0.78 ALOX5AP (0.39) KMT2AL3MBTL1MEN1
SCHEMBL12316157 0.77 SGK1 (0.35) ALDH1A1KDM4ETSHRMAPTMCOLN3

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 KMT2A 1795/4885ALDH1A1 460/4885KDM4E 1334/4885

“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.