SCHEMBL4458512

SCHEMBL4458512

CCc1c(C(=O)NC(=N)N)cnn1-c1ccc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.43
NR4A3 Q92570 1/20 0.41
HSD11B1 P28845 1/20 0.40
PLK1 P53350 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR3 P22607 2/20 0.38
SRC P12931 1/20 0.38
FGFR4 P22455 1/20 0.38
KDR P35968 1/20 0.38
EIF2AK4 Q9P2K8 4/20 0.38
ABL1 P00519 2/20 0.37
AXL P30530 1/20 0.37
SYK P43405 1/20 0.37
MAT2A P31153 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37

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 SCHEMBL6313508 0.99 MALT1 (0.42) MALT1NR4A3HSD11B1PLK1LMNA
SCHEMBL4452237 0.92 ALDH1A1 (0.43) LMNA
SCHEMBL6321469 0.87 NAMPT (0.42) MALT1PLK1LMNARAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6321915 0.87 MAPT (0.45) LMNAKDR
SCHEMBL5263394 0.86 ALDH1A1 (0.39) MALT1LMNARAB9ASMN1; SMN2FGFR1
Hydrochloric Acid SCHEMBL6313151 0.86 NAMPT (0.41) MALT1PLK1LMNARAB9ASMN1; SMN2
SCHEMBL4451996 0.84 MALT1 (0.43) MALT1HSD11B1PLK1LMNARAB9A
Hydrochloric Acid SCHEMBL6319211 0.84 HSD11B1 (0.40) NR4A3HSD11B1LMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6313446 0.83 SLC9A1 (0.46) HSD11B1LMNARAB9ASMN1; SMN2SYK
SCHEMBL6313370 0.83 NR4A3 (0.61) MALT1NR4A3HSD11B1PLK1LMNA

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 70 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-1499317-A1 TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS WITH NHE-1 INHIBITORS Pfizer Products Inc. (US) 2005-01-26 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
WO-2003092694-A1 TREATMENT OF DIABETES AND DIABETIC COMPLICATIONS WITH NHE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-13 WO 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-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-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 4865/4885NR4A3 439/4885HSD11B1 1220/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 MALT1 3664/4885NR4A3 2795/4885HSD11B1 313/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 MALT1 3789/4885NR4A3 3329/4885HSD11B1 1666/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 MALT1 3008/4885NR4A3 4351/4885HSD11B1 125/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 MALT1 3664/4885NR4A3 2795/4885HSD11B1 313/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 MALT1 3008/4885NR4A3 4351/4885HSD11B1 125/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 MALT1 4861/4885NR4A3 210/4885HSD11B1 1412/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 MALT1 3619/4885NR4A3 4694/4885HSD11B1 2700/4885

“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.