Sugi Predict

Sugi Predict / Compounds / SCHEMBL8004716

SCHEMBL8004716

SCHEMBL8004716

Cn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)O)nc2)c1Sc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.46
▸ KCNH2 Q12809 1/20 0.39
▸ SYK P43405 3/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ GABRA1 P14867 6/20 0.35
▸ GABRG2 P18507 6/20 0.35
▸ GABRB3 P28472 6/20 0.35
▸ GABRA5 P31644 6/20 0.35
▸ GABRA3 P34903 6/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ CTSD P07339 1/20 0.34
▸ GUSB P08236 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8003103 0.92 FAAH (0.52) FAAHKCNH2SYKPDE10AGABRA1
SCHEMBL8011186 0.86 FAAH (0.47) FAAHKCNH2SYKPDE10AGABRA1
SCHEMBL7993150 0.86 FAAH (0.54) FAAHKCNH2SYKPDE10AGABRA1
SCHEMBL12106766 0.83 FAAH (0.67) FAAHPTGS2NPC1RAB9ACTSD
SCHEMBL12106792 0.82 FAAH (0.50) FAAHKCNH2SYKGABRA1GABRG2
SCHEMBL1304088 0.81 FAAH (0.69) FAAHKCNH2SYKPDE10APTGS2
SCHEMBL12107035 0.80 FAAH (0.43) FAAHKCNH2SYKPDE10AGABRA1
SCHEMBL8008181 0.79 FAAH (0.55) FAAHKCNH2SYKPDE10APTGS2
SCHEMBL8005582 0.78 FAAH (0.44) FAAHKCNH2SYKGABRA1GABRG2
SCHEMBL8004675 0.78 FAAH (0.42) FAAHNPC1RAB9ACTSDGUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 — — US disclosed
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 — — US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 — — US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 — — US disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — 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-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HNMT FAAH 1/4885KCNH2 1076/4885SYK 1438/4885

“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.