SCHEMBL6344641

SCHEMBL6344641

NC(=Nc1ccc(F)cc1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.50
▸ SLC22A2 O15244 1/20 0.50
▸ SLC22A1 O15245 1/20 0.50
▸ SLC22A3 O75751 1/20 0.50
▸ NOS3 P29474 2/20 0.48
▸ NOS1 P29475 2/20 0.48
▸ HSP90AA1 P07900 2/20 0.46
▸ RAB9A P51151 4/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40

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
SCHEMBL28216082 0.83 CYP2D6 (0.54) PLAUSLC22A2SLC22A1SLC22A3NOS3
SCHEMBL9047575 0.79 GRIN2B (0.51) PLAUSLC22A2SLC22A1SLC22A3NOS3
SCHEMBL4862359 0.74 MEN1 (0.73) PLAUSLC22A2SLC22A1SLC22A3NOS3
SCHEMBL4617280 0.73 NOS3 (0.55) NOS3NOS1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL18938485 0.71 GRIN2B (0.44) HSP90AA1RAB9AL3MBTL1HPGDSMN1; SMN2
SCHEMBL101069 0.71 L3MBTL1 (0.50) HSP90AA1RAB9AL3MBTL1HPGDSMN1; SMN2
SCHEMBL101068 0.71 L3MBTL1 (0.50) HSP90AA1RAB9AL3MBTL1HPGDSMN1; SMN2
SCHEMBL21379771 0.70 HTR3E (0.52) PLAUSLC22A2SLC22A1SLC22A3NOS3
SCHEMBL21379768 0.70 HTR3E (0.52) PLAUSLC22A2SLC22A1SLC22A3NOS3
SCHEMBL28410295 0.70 NFE2L2 (0.50) PLAUSLC22A2SLC22A1SLC22A3NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-17 — — US disclosed
US-6960601-B2 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-01 — — US disclosed
WO-2005099705-A2 PREPARATION OF IMIDAZOLE DERIVATIVES AND METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-27 — — WO disclosed
EP-1432691-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 — — EP disclosed
US-20040063691-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-04-01 — — US disclosed
WO-2003040107-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 — — 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 (2 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-20040063691-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC PLAU 4599/4885SLC22A2 3004/4885SLC22A1 2708/4885
US-20050256167-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC PLAU 4599/4885SLC22A2 3004/4885SLC22A1 2708/4885

“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.

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