SCHEMBL14738358

SCHEMBL14738358

Cn1c(-c2ccc3c(c2)OCCO3)c(Sc2ccc(Cl)cc2)c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.45
KCNH2 Q12809 1/20 0.44
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALOX5 P09917 1/20 0.36
METAP2 P50579 2/20 0.36
TERT O14746 2/20 0.35
PIK3CD O00329 1/20 0.34
KDM4E B2RXH2 3/20 0.34

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
SCHEMBL14753491 0.80 MAPT (0.38) FAAHKCNH2SMN1; SMN2GAAMAPT
SCHEMBL7711547 0.76 FAAH (0.54) FAAHKCNH2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL14739233 0.73 KDM4E (0.35) FAAHCYP2C9CYP2C19SMN1; SMN2CYP1A2
SCHEMBL8005189 0.73 FAAH (0.62) FAAHKCNH2CYP2C9CYP2C19HTT
SCHEMBL14739766 0.70 FAAH (0.47) FAAHKCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL7714755 0.68 FAAH (0.52) FAAHKCNH2CYP2C9CYP2C19HTT
SCHEMBL20637429 0.68 CYP11B1 (0.45) HTTSMN1; SMN2GAAMAPTTDP1
SCHEMBL14739634 0.67 PTGDR2 (0.39) CYP2C9CYP2C19CYP1A2CYP3A4L3MBTL1
SCHEMBL14739637 0.67 PTGDR2 (0.39) CYP2C9CYP2C19CYP1A2CYP3A4L3MBTL1
SCHEMBL7992736 0.67 FAAH (0.62) FAAHCYP2C19HTTSMN1; SMN2CYP1A2

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 3 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 disclosed
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

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 FAAH 1/4885KCNH2 1359/4885CYP2C9 869/4885

“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.