SCHEMBL4451996

SCHEMBL4451996

CC(C)c1c(C(=O)NC(=N)N)cnn1-c1ccc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.43
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR3 P22607 2/20 0.40
HSD11B1 P28845 1/20 0.40
PLK1 P53350 1/20 0.39
SRC P12931 1/20 0.38
FGFR4 P22455 1/20 0.38
KDR P35968 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CLK1 P49759 2/20 0.37
ACACB O00763 1/20 0.37
MAT2A P31153 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
PDE4B Q07343 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
Trifluoroacetic Acid SCHEMBL6392428 0.94 MALT1 (0.39) MALT1LMNARAB9ASMN1; SMN2FGFR1
SCHEMBL5263394 0.91 ALDH1A1 (0.39) MALT1LMNARAB9ASMN1; SMN2FGFR1
SCHEMBL6321469 0.87 NAMPT (0.42) MALT1LMNARAB9ASMN1; SMN2FGFR1
Hydrochloric Acid SCHEMBL6313151 0.86 NAMPT (0.41) MALT1LMNARAB9ASMN1; SMN2FGFR1
SCHEMBL4458512 0.84 MALT1 (0.43) MALT1LMNARAB9ASMN1; SMN2FGFR1
SCHEMBL6313179 0.84 MALT1 (0.39) MALT1RAB9ASMN1; SMN2FGFR1FGFR2
Hydrochloric Acid SCHEMBL6313508 0.83 MALT1 (0.42) MALT1LMNARAB9ASMN1; SMN2FGFR1
SCHEMBL6313072 0.83 PTGER4 (0.47) MALT1LMNARAB9ASMN1; SMN2FGFR1
SCHEMBL4452237 0.83 ALDH1A1 (0.43) LMNAPOLBMAPT
SCHEMBL4452001 0.82 SLC9A1 (0.49) MALT1LMNARAB9ASMN1; SMN2FGFR1

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 62 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-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-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-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US 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
WO-2015189236-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING CD95-MEDIATED CELL MOTILITY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-12-17 WO disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO 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 (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-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 MALT1 3664/4885LMNA 2582/4885RAB9A 3039/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 MALT1 3789/4885LMNA 4372/4885RAB9A 1550/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 MALT1 4825/4885LMNA 1632/4885RAB9A 3923/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 MALT1 3008/4885LMNA 1870/4885RAB9A 2389/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 MALT1 4089/4885LMNA 1626/4885RAB9A 2117/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 MALT1 3664/4885LMNA 2582/4885RAB9A 3039/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 MALT1 4861/4885LMNA 1609/4885RAB9A 4142/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 MALT1 3619/4885LMNA 973/4885RAB9A 3272/4885

“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.