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Sugi Predict / Compounds / SCHEMBL1303791

SCHEMBL1303791

SCHEMBL1303791

Cn1c(I)nc(-c2ccc(C#N)cc2)c1Sc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.50
▸ MAOB P27338 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.41
▸ FAAH O00519 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PGGT1B P53609 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL1302719 0.82 FAAH (0.50) MAOAMAOBALDH1A1FAAHTDP1
SCHEMBL1302990 0.81 MAOA (0.46) MAOAMAOBALDH1A1FAAHTDP1
SCHEMBL8006548 0.81 MAOA (0.46) MAOAMAOBALDH1A1FAAHTDP1
SCHEMBL12106886 0.80 FAAH (0.48) MAOAMAOBALDH1A1FAAHTDP1
SCHEMBL1303082 0.80 FAAH (0.54) FAAH
SCHEMBL1304298 0.79 FAAH (0.67) MAOAMAOBALDH1A1FAAHTDP1
SCHEMBL8006327 0.79 GAA (0.52) MAOAMAOBALDH1A1FAAHTDP1
SCHEMBL1304302 0.78 FAAH (0.44) MAOAMAOBALDH1A1FAAHTDP1
SCHEMBL7993055 0.78 MAOA (0.35) MAOAMAOBALDH1A1FAAHTDP1
SCHEMBL1304208 0.78 FAAH (0.55) MAOAMAOBALDH1A1FAAHTDP1

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 claimed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 — — US claimed
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
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 MAOA 61/4885MAOB 106/4885ALDH1A1 848/4885

“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.