SCHEMBL6836844

SCHEMBL6836844

O=C(Cl)/C=C/c1ccsc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
ALOX5 P09917 3/20 0.46
JAK2 O60674 1/20 0.44
EGFR P00533 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PPARA Q07869 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
DAO P14920 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6836849 1.00 GUSB (0.51) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL9329946 0.83 GUSB (0.54) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL9329953 0.83 GUSB (0.54) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL12924107 0.82 HCAR2 (0.54) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL1126746 0.82 HCAR2 (0.54) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL1126747 0.82 HCAR2 (0.54) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL9256644 0.80 GLA (0.53) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL1384049 0.80 ALOX5 (0.54) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL1478122 0.80 ALOX5 (0.54) GUSBTAS1R3TAS1R1ALOX5JAK2
SCHEMBL9256654 0.80 GLA (0.53) GUSBTAS1R3TAS1R1ALOX5JAK2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415561-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2024-08-21 EP disclosed
WO-2023062110-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-04-20 WO 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
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-0541617-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 1997-06-04 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
US-5276035-A Central nervous system disorders; Parkinson's disease; antidepressant and dopaminergic agent NOVO NORDISK A/S (DK) 1994-01-04 US disclosed
EP-0541617-A1 1,4-DISUBSTITUTED PIPERAZINES. NOVO NORDISK AS (DK) 1993-05-19 EP disclosed
WO-1992001679-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1992-02-06 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 GUSB 4372/4885TAS1R3 1052/4885TAS1R1 635/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 GUSB 4461/4885TAS1R3 1076/4885TAS1R1 640/4885

“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.