SCHEMBL2806775

SCHEMBL2806775

O=S(=O)(Cc1ccccc1Cl)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.45
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
SCN9A Q15858 1/20 0.36
PAK1 Q13153 1/20 0.36
CCR2 P41597 1/20 0.35
METAP2 P50579 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
SCHEMBL2805740 0.83 FAAH (0.38) FAAHKMT2AROCK2SCN9APAK1
SCHEMBL2803967 0.82 HTR6 (0.43) FAAHALDH1A1MAPTKDM4EKMT2A
SCHEMBL2803969 0.82 RPS6KB1 (0.41) FAAHKMT2AROCK2ROCK1SCN9A
SCHEMBL2805398 0.81 MAPK1 (0.42) ALDH1A1MAPTKMT2ATSHRSCN9A
SCHEMBL2805453 0.81 MET (0.46) KMT2ALMNASMN1; SMN2SCN9APAK1
SCHEMBL2806757 0.80 TAOK1 (0.47) FAAHMAPTLMNAHTTSMN1; SMN2
SCHEMBL2804081 0.79 HTR6 (0.53) KMT2ATSHRLMNASMN1; SMN2SCN9A
SCHEMBL2803593 0.78 MAPK1 (0.46) MAPTKMT2ATSHRLMNASMN1; SMN2
SCHEMBL2809003 0.78 MAPT (0.44) ALDH1A1MAPTKDM4EKMT2ATSHR
SCHEMBL2486484 0.78 MEN1 (0.51) FAAHALDH1A1MAPTKDM4EKMT2A

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 FAAH 3078/4885ALDH1A1 460/4885MAPT 3332/4885

“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.