SCHEMBL2312954

SCHEMBL2312954

C=CC(Br)c1cccc2c1C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.39
▸ CASP3 P42574 4/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PARP1 P09874 5/20 0.38
▸ GSK3A P49840 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 4/20 0.33

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
SCHEMBL4975646 0.81 KDM4E (0.42) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL11615864 0.81 KDM4E (0.42) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL10416487 0.81 GSK3B (0.39) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL57295 0.78 KDM4E (0.45) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL3171915 0.77 KDM4E (0.40) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL10879454 0.77 HPGD (0.36) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL3908443 0.75 GSK3B (0.48) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL2247260 0.74 KDM4E (0.42) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL166123 0.74 HPGD (0.47) GSK3BCASP3CASP7CASP2CASP6
SCHEMBL4336651 0.72 KDM4E (0.43) GSK3BCASP3CASP7CASP2CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402448-B Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2023-03-17 — — CN claimed
CN-113402448-A Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2021-09-17 — — CN claimed
US-6657081-B1 Extraction of actinides and lanthanides from aqueous solutions COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2003-12-02 — — US claimed
EP-1133501-B1 CALIXARENE DERIVATIVES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2003-02-12 — — EP claimed
CN-113402448-B Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2023-03-17 — — CN disclosed
CN-113402448-B Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2023-03-17 — — CN disclosed
CN-113402448-A Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2021-09-17 — — CN disclosed
CN-113402448-A Terpyridyl primary amine organic corrosion inhibitor and preparation method and application thereof 中国船舶重工集团公司第七二五研究所 2021-09-17 — — CN disclosed
EP-3796900-A1 TRITERPENE AMINE DERIVATIVES DFH Therapeutics (US) 2021-03-31 — — EP disclosed
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 — — US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 — — US disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 — — EP disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 — — US disclosed
WO-1993004373-A1 CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 1993-03-04 — — WO disclosed
WO-1993000906-A1 MUSCARINIC ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-01-21 — — WO disclosed
US-5021429-A Histamine h2-antagonists; antisecretory-antiallergen agent; skin disorders and peptic ulcers ALLEN & HANSBURYS LIMITED (GB) 1991-06-04 — — US disclosed
US-4613695-A ANTITUMOR AKTIEBOLAGET LEO (SE) 1986-09-23 — — US disclosed
EP-0194046-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-10 — — EP disclosed
US-4568685-A THROMBOXANE SYNTHETASE ENZYME INHIBITORS, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1986-02-04 — — US disclosed
US-4038412-A ANTI-VIRAL AGENTS RICHARDSON-MERRELL INC. (US) 1977-07-26 — — 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-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 GSK3B 4383/4885CASP3 3449/4885CASP7 3643/4885

“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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