SCHEMBL4517019

SCHEMBL4517019

COc1ccc(N=C(N)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.55
▸ MAPT P10636 3/20 0.55
▸ NOS3 P29474 4/20 0.51
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ HTR3D Q70Z44 1/20 0.51
▸ HTR3C Q8WXA8 1/20 0.51
▸ FLT1 P17948 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ NOS1 P29475 2/20 0.47
▸ NOS2 P35228 2/20 0.47
▸ KCNH2 Q12809 1/20 0.45
▸ NPC1 O15118 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL4215248 0.86 HTR3E (0.53) RAB9AMAPTNOS3HTR3EHTR3B
SCHEMBL662014 0.80 PLAU (0.47) RAB9AMAPTHTR3EHTR3BHTR3A
SCHEMBL4516878 0.77 HTR3E (0.51) RAB9AMAPTNOS3HTR3EHTR3B
SCHEMBL3340475 0.73 GAA (0.68) RAB9AMAPTFLT1FLT4KDR
SCHEMBL3340477 0.73 GAA (0.68) RAB9AMAPTFLT1FLT4KDR
SCHEMBL5119861 0.72 PTGS2 (0.52) RAB9ANOS3HTR3EHTR3BHTR3A
SCHEMBL5423613 0.72 NOS3 (0.68) RAB9AMAPTNOS3HTR3EHTR3B
SCHEMBL4743098 0.71 MAPT (1.00) RAB9AMAPTFLT1FLT4KDR
SCHEMBL101868 0.70 USP2 (0.65) RAB9AMAPTNPC1HPGDCASP3
SCHEMBL101867 0.70 USP2 (0.65) RAB9AMAPTNPC1HPGDCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729101-B2 1H-imidazole derivative having CB1, agonistic, CB1 partial agonistic or CB1 antagnistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2014-05-20 — — US disclosed
US-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. 2009-07-16 — — US disclosed
US-20080319019-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
EP-1438296-B1 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-11-26 — — EP disclosed
EP-1833802-A2 1,2-DIPHENYL-IMIDAZOLE DERIVATIVES AND THEIR USE AS CB1 RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-19 — — EP disclosed
US-7109216-B2 1H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-09-19 — — US disclosed
WO-2006067428-A2 1, 2-DIPHENYL-IMIDAZOLE DERIVATIVES AND THEIR USE AS CB1 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-03-10 — — US disclosed
CN-1556703-A With CB1Agonistic activity, CB1Partial agonist Activity or CB11H-imidazole derivatives with antagonistic activity ������ҩ�����޹�˾ 2004-12-22 — — CN disclosed
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-11-25 — — US disclosed
EP-1438296-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-07-21 — — EP disclosed
WO-2003027076-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-04-03 — — 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 (4 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-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY CNR1, CNR2, CHRM1 RAB9A 1045/4885MAPT 1701/4885NOS3 2267/4885
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity CNR1, CNR2, CHRM1 RAB9A 858/4885MAPT 2098/4885NOS3 1962/4885
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity CNR1, CNR2, HRH4 RAB9A 728/4885MAPT 2306/4885NOS3 2260/4885
US-20080319019-A1 Therapeutic Agents SDHA, GPR119, ABAT RAB9A 2904/4885MAPT 1001/4885NOS3 1633/4885

“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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