Sugi Predict

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SCHEMBL1304302

SCHEMBL1304302

Cn1c(-c2ccn[nH]2)nc(-c2ccc(C#N)cc2)c1Sc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ BRAF P15056 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ PSD A5PKW4 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL8003039 0.92 LMNA (0.42) FAAHPOLBALDH1A1BRAFLMNA
SCHEMBL1302719 0.82 FAAH (0.50) FAAHMAOAMAOBPOLBALDH1A1
SCHEMBL8006548 0.81 MAOA (0.46) FAAHMAOAMAOBPOLBALDH1A1
SCHEMBL1304298 0.80 FAAH (0.67) FAAHMAOAMAOBPOLBALDH1A1
SCHEMBL12106886 0.79 FAAH (0.48) FAAHMAOAMAOBALDH1A1LMNA
SCHEMBL8005254 0.79 FAAH (0.55) FAAHMAOAMAOBALDH1A1LMNA
SCHEMBL8006327 0.78 GAA (0.52) FAAHMAOAMAOBALDH1A1LMNA
SCHEMBL1303791 0.78 MAOA (0.50) FAAHMAOAMAOBALDH1A1LMNA
SCHEMBL12106073 0.77 FAAH (0.46) FAAHMAOAMAOBALDH1A1LMNA
SCHEMBL1303162 0.76 FAAH (0.45) FAAHMAOAMAOBALDH1A1LMNA

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 9 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-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
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 — — US disclosed
EP-2300438-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck Sharp & Dohme Corp. (US) 2011-03-30 — — EP disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — WO 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 1/4885MAOA 61/4885MAOB 106/4885

“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.