SCHEMBL7716031

SCHEMBL7716031

OC(c1ccc2c(c1)OCO2)c1[nH]c2ncccc2c1Sc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSPA5 P11021 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P4HB P07237 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PDE1C Q14123 1/20 0.35
MAPK1 P28482 3/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL14738347 0.82 L3MBTL1 (0.39) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL14739766 0.80 FAAH (0.47) KDM4EKMT2ATSHRMEN1MAPK1
SCHEMBL14738723 0.79 ALDH1A1 (0.45) KDM4EKMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL7712755 0.76 RAB9A (0.54) KDM4EKMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL14753496 0.74 RHEB (0.39) KDM4EKMT2AALDH1A1HPGDMEN1
SCHEMBL7711547 0.74 FAAH (0.54) RAB9ASMN1; SMN2POLBNPC1RHEB
SCHEMBL7716093 0.71 MLKL (0.41) HTTRAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL7713724 0.70 RAB9A (0.54) HTTRAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL14753466 0.70 CCNB2 (0.42) KDM4EALDH1A1HPGDL3MBTL1RHEB
SCHEMBL7705773 0.68 ALDH1A1 (0.44) KDM4EKMT2AALDH1A1HPGDMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 ALOX12 41/4885KDM4E 307/4885HTT 343/4885

“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.