SCHEMBL2805658

SCHEMBL2805658

Cc1noc(C)c1S(=O)(=O)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 3/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 1/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 1/20 0.38
CHRM1 P11229 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 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
SCHEMBL2803975 0.82 NPSR1 (0.43) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2804793 0.82 PROKR1 (0.43) ALDH1A1LMNATSHRHPGD
SCHEMBL2804811 0.79 PKM (0.44) HTTALDH1A1TSHRPKM
SCHEMBL2805913 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL2807747 0.78 PKM (0.44) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL2805453 0.78 MET (0.46) CNR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2805398 0.78 MAPK1 (0.42) MAPK1ALDH1A1KMT2ATSHRMAPT
SCHEMBL2805150 0.77 ALOX5AP (0.39) MAPK1MEN1KMT2ALMNA
SCHEMBL2805985 0.77 KMT2A (0.39) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2486484 0.76 MEN1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2PKM

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 6 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

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 HTT 1191/4885CNR2 608/4885CNR1 926/4885

“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.