SCHEMBL4539659

SCHEMBL4539659

COC(=O)/C(=C\c1cccc(Cl)c1Cl)C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL10387257 1.00 MAPT (0.46) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL4539662 1.00 MAPT (0.46) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL3183430 0.88 MAPT (0.55) MAPTNPSR1LMNAKMT2ACA1
SCHEMBL3194980 0.88 MAPT (0.55) MAPTNPSR1LMNAKMT2ACA1
SCHEMBL822823 0.87 KMT2A (0.47) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL7270580 0.85 MAPT (0.43) MAPTNPSR1LMNACA1CA2
SCHEMBL10865691 0.85 MAPT (0.43) MAPTNPSR1LMNACA1CA2
SCHEMBL10853348 0.84 LMNA (0.52) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL10853353 0.84 LMNA (0.52) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL7984000 0.84 SMN1; SMN2 (0.42) NPSR1LMNASMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012123966-A1 PROCESS FOR THE PREPARATION OF 4 -SUBSTITUTED -1, 4-DIHYDROPYRIDINES ARCH PHARMALABS LIMITED (IN) 2012-09-20 WO disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
US-4707486-A Diaryl piperidine containing esters of 1,4-dihydropyridines and coronary therapeutic use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-11-17 US disclosed
US-4670449-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1987-06-02 US disclosed
US-4661485-A 2-pyrimidylaminoalkoxymethyl-6-methyl-3,5-bis (alkoxycarbony-1)-1,4-dihydropyridine antihypertensive agents PFIZER INC. (US) 1987-04-28 US disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4616024-A Dihydropyridine anti-ischaemic and antihypertensive agents PFIZER INC. (US) 1986-10-07 US disclosed
US-4600778-A Process for the preparation of 1,4-dihydropyridinedicarboxylic esters BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 US disclosed
EP-0100189-B1 DIHYDROPYRIDINE ANTI-ISCHAEMIC AND ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1986-05-28 EP disclosed
US-4572908-A HYPOTENSIVE AND ANTIISCHEMIC AGENTS PFIZER INC. (US) 1986-02-25 US disclosed
US-4515799-A Dihydropyridine anti-ischaemic and antihypertensive agents PFIZER INC. (US) 1985-05-07 US disclosed
EP-0100189-A2 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1984-02-08 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 (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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 MAPT 1762/4885NPSR1 1805/4885LMNA 4708/4885

“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.