SCHEMBL4455784

SCHEMBL4455784

CCCCc1c(C(=O)NC(=N)N)cnn1-c1cccc2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 17/20 0.53
SLC9A1 P19634 3/20 0.50
SLC9A2 Q9UBY0 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44

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
Hydrochloric Acid SCHEMBL6319934 0.99 MALT1 (0.52) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL4458530 0.94 MALT1 (0.54) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6321363 0.94 MALT1 (0.53) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL7359681 0.90 MALT1 (0.47) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6312181 0.90 MALT1 (0.62) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL20067180 0.86 MALT1 (0.64) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6400004 0.85 MALT1 (0.51) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6313067 0.85 MALT1 (0.63) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL6491582 0.84 MALT1 (0.50) MALT1SLC9A1SLC9A2
SCHEMBL6312653 0.84 MALT1 (0.50) MALT1SLC9A1SLC9A2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP claimed
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US claimed
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP claimed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US claimed
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors PFIZER INC. 2003-11-13 US claimed
US-20030212072-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2003-11-13 US claimed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US claimed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US claimed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US claimed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
CN-1374967-A Compounds for the treatment of ischemia PFIZER PROD INC (US) 2002-10-16 CN claimed
CN-1370531-A Combined therapy PFIZER PRODUCT CO (US) 2002-09-25 CN claimed
EP-1226830-A2 Combination therapy involving a sodium-hydrogen exchanger type 1 or NHE-1 inhibitor for use in treatment of ischemia Pfizer Products Inc. (US) 2002-07-31 EP claimed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 US claimed
US-6423705-B1 FOR ISCHEMIA BY ADMINISTERING AN NHE-1 INHIBITOR AND A SECOND COMPOUND SELECTED FROM COMPLEMENT MODULATOR, METABOLIC MODULATOR, ANTIAPOPTOTIC AGENT, NITRIC OXIDE SYNTHASE-RELATED AGENT, AND AN ENZYME/PROTEIN MODULATOR PFIZER INC. 2002-07-23 US claimed
US-20010056095-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2001-12-27 US claimed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN claimed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
EP-1041068-A1 Compounds for treating and preventing diabetic complications Pfizer Products Inc. (US) 2000-10-04 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 (9 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-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 MALT1 3664/4885SLC9A1 20/4885SLC9A2 42/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 MALT1 3789/4885SLC9A1 6/4885SLC9A2 7/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 MALT1 4825/4885SLC9A1 1826/4885SLC9A2 2444/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 MALT1 3008/4885SLC9A1 14/4885SLC9A2 23/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 MALT1 4089/4885SLC9A1 5/4885SLC9A2 12/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 MALT1 3664/4885SLC9A1 20/4885SLC9A2 42/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 MALT1 3008/4885SLC9A1 14/4885SLC9A2 23/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 MALT1 4861/4885SLC9A1 3134/4885SLC9A2 3290/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 MALT1 3619/4885SLC9A1 2/4885SLC9A2 13/4885

“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.