SCHEMBL4445973

SCHEMBL4445973

COc1ccc(C(=N)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.64
CES1 P23141 2/20 0.64
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
CA4 P22748 1/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
LTA4H P09960 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
KDM4E B2RXH2 2/20 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
SCHEMBL5082858 0.91 PRSS1 (0.67) CES2CES1PRSS1PRSS2PRSS3
SCHEMBL15372988 0.88 PRSS1 (0.53) CES2CES1PRSS1PRSS2PRSS3
SCHEMBL7953 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL10518077 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL9723456 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL30741457 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL68050 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL9102 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL68051 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL11601965 0.82 PRSS1 (0.65) CES2CES1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072721-A1 COMPOSITIONS UVAGELESS LLC (US) 2025-04-03 WO disclosed
US-7507830-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2009-03-24 US disclosed
US-7507830-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2009-03-24 US disclosed
US-7507830-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2009-03-24 US disclosed
US-6962999-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2005-11-08 US disclosed
US-20050124808-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM I.P. ASSETS B.V. (NL) 2005-06-09 US disclosed
US-20030100760-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM N.V. (NL) 2003-05-29 US disclosed
EP-1279656-A2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM N.V. (NL) 2003-01-29 EP disclosed
EP-0153168-B1 PROCESS FOR PREPARING A HYDRAZINE HYDROHALIDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-09-20 EP disclosed
US-4727190-A Process for preparing benzophenone-azines MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-02-23 US disclosed
EP-0102808-B1 PROCESS FOR PRODUCING BENZOPHENONE-AZINES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1987-02-04 EP disclosed
US-4628119-A Process for preparing hydrazine hydrohalogenide MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1986-12-09 US disclosed
EP-0153168-A2 Process for preparing a hydrazine hydrohalide MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-08-28 EP disclosed
EP-0102808-A1 Process for producing benzophenone-azines MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-03-14 EP disclosed
EP-0038708-B1 PROCESS FOR PRODUCING BENZOPHENONE-AZINES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-08-24 EP disclosed
EP-0038708-A1 Process for producing benzophenone-azines MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-10-28 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-20030100760-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles AHR, PAH, DDT CES2 1500/4885CES1 3467/4885PRSS1 3313/4885
US-20050124808-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles AHR, PAH, DDT CES2 1500/4885CES1 3467/4885PRSS1 3313/4885

“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.