SCHEMBL7440604

SCHEMBL7440604

C=CC(=O)[N]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
TGM2 P21980 2/20 0.42
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
THRB P10828 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
HTR3B O95264 1/20 0.34
PLAU P00749 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
TSHR P16473 4/20 0.34

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
Azobenzene SCHEMBL509328 0.74 ALDH1A1 (0.57) AKT1TGM2TRPA1ALDH1A1MEN1
Azobenzene SCHEMBL30414107 0.74 ALDH1A1 (0.57) AKT1TGM2TRPA1ALDH1A1MEN1
Azobenzene SCHEMBL27865838 0.74 ALDH1A1 (0.57) AKT1TGM2TRPA1ALDH1A1MEN1
SCHEMBL7451798 0.74 GLA (0.36) TRPA1ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL4155184 0.74 GLA (0.36) TRPA1ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL1362962 0.72 CYP3A4 (0.40) AKT1TGM2TRPA1ALDH1A1MEN1
SCHEMBL342606 0.72 TRPA1 (0.46) TRPA1ALDH1A1MEN1KMT2AHTR3E
SCHEMBL4993304 0.72 TRPA1 (0.46) TRPA1ALDH1A1MEN1KMT2AHTR3E
Azobenzene SCHEMBL28946018 0.71 ALDH1A1 (0.52) AKT1TGM2TRPA1ALDH1A1MEN1
Azobenzene SCHEMBL19813944 0.71 ALDH1A1 (0.52) AKT1TGM2TRPA1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4737451-A Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-04-12 US claimed
US-4698297-A INCLUDING A CHEMICALLY STABLE COMPOUND ABLE TO RELEASE A USEFUL CONTROLLABLE GROUP HAVING GOOD DIFFUSION; SHARPNESS FUJI PHOTO FILM CO., LTD. (JP) 1987-10-06 US claimed
US-4076533-A MAGENTA DYE FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US claimed
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO disclosed
US-4840877-A MAGNETA DYE FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1989-06-20 US disclosed
US-4820623-A LAYER CONTAINING MAGENTA PYRAZOLE DYE-FORMING COUPLER AND A NONDIFFUSING CARBOXYLIC ACID OR SALT; ANTISOILANTS; NONSETTLING; EFFICIENT AUTOMATIC DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1989-04-11 US 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 (1 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 AKT1 306/4885TGM2 258/4885TRPA1 3209/4885

“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.