SCHEMBL4458530

SCHEMBL4458530

CCCc1c(C(=O)NC(=N)N)cnn1-c1cccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 17/20 0.54
SLC9A1 P19634 3/20 0.52
SLC9A2 Q9UBY0 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46

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 SCHEMBL6321363 0.99 MALT1 (0.53) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL4455784 0.94 MALT1 (0.53) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6319934 0.94 MALT1 (0.52) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6312181 0.91 MALT1 (0.62) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL7359681 0.88 MALT1 (0.47) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL20067180 0.88 MALT1 (0.64) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6313067 0.87 MALT1 (0.63) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6400004 0.87 MALT1 (0.51) MALT1SLC9A1SLC9A2OPRM1OPRD1
SCHEMBL6312521 0.85 SLC9A1 (0.54) MALT1SLC9A1SLC9A2OPRM1OPRD1
Hydrochloric Acid SCHEMBL6314133 0.84 SLC9A1 (0.66) 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 21 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
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US 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-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 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
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
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
US-20050113381-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2005-05-26 US disclosed
US-6894047-B2 Triazine compounds useful as sorbitol dehydrogenase inhibitors PFIZER INC. (US) 2005-05-17 US disclosed
US-6869943-B2 Sorbitol dehydrogenase inhibitors PFIZER INC (US) 2005-03-22 US disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors PFIZER INC. 2003-11-13 US disclosed
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 disclosed
CN-1374967-A Compounds for the treatment of ischemia PFIZER PROD INC (US) 2002-10-16 CN disclosed
CN-1370531-A Combined therapy PFIZER PRODUCT CO (US) 2002-09-25 CN disclosed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 US disclosed
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 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 (6 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R MALT1 4865/4885SLC9A1 1320/4885SLC9A2 1706/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 MALT1 3789/4885SLC9A1 6/4885SLC9A2 7/4885
US-20050113381-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 MALT1 3271/4885SLC9A1 90/4885SLC9A2 235/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 MALT1 4825/4885SLC9A1 1826/4885SLC9A2 2444/4885
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-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.