SCHEMBL6836380

SCHEMBL6836380

Cc1cccc(C=CC(=O)Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.62
▸ MAOB P27338 2/20 0.62
▸ ALOX5 P09917 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ MMP1 P03956 3/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP9 P14780 3/20 0.50
▸ EGFR P00533 1/20 0.50
▸ FBP1 P09467 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ ALOX12 P18054 1/20 0.49

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
SCHEMBL6752531 1.00 MAOA (0.62) MAOAMAOBALOX5PTGS1PTGS2
SCHEMBL31202444 1.00 MAOA (0.62) MAOAMAOBALOX5PTGS1PTGS2
SCHEMBL10981903 0.86 CYP1A2 (0.57) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL7927174 0.86 CYP1A2 (0.57) MAOAMAOBMAPTALDH1A1LMNA
SCHEMBL5599099 0.85 CYP1A2 (0.61) MAOAMAOBALOX5PTGS1PTGS2
SCHEMBL5599097 0.85 CYP1A2 (0.61) MAOAMAOBALOX5PTGS1PTGS2
SCHEMBL79073 0.83 NPSR1 (0.62) MAOAMAOBALOX5PTGS1PTGS2
SCHEMBL79074 0.83 NPSR1 (0.62) MAOAMAOBALOX5PTGS1PTGS2
SCHEMBL29426419 0.83 NPSR1 (0.62) MAOAMAOBALOX5PTGS1PTGS2
SCHEMBL8948080 0.83 TDP1 (0.62) MAOAMAOBALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102838625-B Tetrahydropyridothiazole compounds, preparation method thereof, pharmaceutical composition containing same and application thereof SHANGHAI INST MATERIA MEDICA 2015-04-15 — — CN disclosed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 — — US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 — — US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 — — US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 — — EP disclosed
US-6323212-B1 METHOD FOR REDUCING PAIN, WHICH COMPRISES ADMINISTERING AN EFFECTIVE ANALGESIC AMOUNT OF THE MORPHINAN DERIVATIVE TORAY INDUSTRIES, INC. (JP) 2001-11-27 — — US disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 — — US disclosed
US-6277859-B1 HIGHLY SELECTIVE KAPPA-OPIOID AGONISTS USEFUL AS ANALGESICS AND DIURETICS WITH REDUCED PHYSIOLOGICAL SIDE EFFECTS TORAY INDUSTRIES, INC. (JP) 2001-08-21 — — US disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 — — US disclosed
US-6147084-A Brain cell protective agent TORAY INDUSTRIES, INC. (JP) 2000-11-14 — — US disclosed
EP-0663401-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 2000-06-07 — — EP disclosed
US-5972953-A MORPHINAN DERIVATIVE; USEFAL AS PREVENTIVE AND THERAPUETIC AGENTS OF ISCHEMIC BRAIN DISORDERS, BRAIN NERVE CELL DISORDERS AND DEMENTIA TORAY INDUSTRIES, LTD. (JP) 1999-10-26 — — US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 — — EP disclosed
EP-0661283-B1 BRAIN CELL PROTECTIVE TORAY INDUSTRIES (JP) 1998-10-21 — — EP disclosed
EP-0577847-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 1998-10-14 — — EP disclosed
EP-0846694-A1 Morphinan derivative and its pharmaceutical applications TORAY INDUSTRIES, INC. (JP) 1998-06-10 — — EP disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 — — EP disclosed
EP-0661283-A1 BRAIN CELL PROTECTIVE TORAY INDUSTRIES, INC. (JP) 1995-07-05 — — EP disclosed
EP-0577847-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1994-01-12 — — EP 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 MAOA 3332/4885MAOB 3180/4885ALOX5 118/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 MAOA 3428/4885MAOB 3252/4885ALOX5 125/4885

“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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