SCHEMBL2808972

SCHEMBL2808972

O=S(=O)(c1ccccc1C(F)(F)F)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GBA1 P04062 1/20 0.39
HSD11B1 P28845 1/20 0.38
NR3C1 P04150 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL2802866 0.87 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2803927 0.87 PKM (0.41) KMT2AMEN1MAPTALOX5APFEN1
SCHEMBL2807842 0.85 CHRM1 (0.42) KMT2AALOX5APFEN1L3MBTL1
SCHEMBL2805150 0.85 ALOX5AP (0.39) KMT2AMEN1LMNAALOX5APFEN1
SCHEMBL2803967 0.85 HTR6 (0.43) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2486484 0.82 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPT
SCHEMBL2804077 0.82 HDAC6 (0.47) ALDH1A1HSD11B1
SCHEMBL2803134 0.81 HTR6 (0.43) KMT2AMEN1LMNAALOX5APFEN1
SCHEMBL2804283 0.81 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2805052 0.81 SCN9A (0.41) KMT2AMEN1ALDH1A1L3MBTL1HSD11B1

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 1795/4885MEN1 1822/4885ALDH1A1 460/4885

“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.