SCHEMBL4454492

SCHEMBL4454492

COc1ccc(Cl)c(-n2ncc(C(=O)NC(=N)N)c2C2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TP53 P04637 4/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC9A1 P19634 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
POLB P06746 1/20 0.39

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 SCHEMBL6314124 0.99 MAPT (0.42) MAPTTP53KEAP1NFE2L2MEN1
SCHEMBL4458341 0.87 CNR1 (0.42) MAPTTP53KEAP1NFE2L2MEN1
Hydrochloric Acid SCHEMBL6314832 0.86 SMN1; SMN2 (0.42) MAPTTP53KEAP1NFE2L2MEN1
SCHEMBL4453856 0.85 SLC9A1 (0.41) MAPTTP53KEAP1NFE2L2MEN1
Hydrochloric Acid SCHEMBL6314063 0.84 SLC9A1 (0.40) TP53KEAP1NFE2L2MEN1KMT2A
Hydrochloric Acid SCHEMBL6314820 0.84 CNR1 (0.41) TP53KEAP1NFE2L2MEN1KMT2A
Hydrochloric Acid SCHEMBL6313195 0.83 SLC9A1 (0.39) TP53KEAP1NFE2L2MEN1KMT2A
SCHEMBL4454362 0.83 MEN1 (0.39) TP53KEAP1NFE2L2MEN1KMT2A
SCHEMBL4454500 0.83 SLC9A1 (0.56) MAPTTP53KEAP1NFE2L2MEN1
Hydrochloric Acid SCHEMBL6315706 0.83 MEN1 (0.38) TP53KEAP1NFE2L2MEN1KMT2A

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 57 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-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-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
CN-1351497-A Aminopyrimidines as sorbitol dehydrogenase inhibitors PFIZER PROD INC (US) 2002-05-29 CN disclosed
US-20010056095-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2001-12-27 US 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 (10 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 MAPT 4820/4885TP53 4547/4885KEAP1 1932/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 MAPT 256/4885TP53 4691/4885KEAP1 2193/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 MAPT 3477/4885TP53 4751/4885KEAP1 166/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 MAPT 4649/4885TP53 4700/4885KEAP1 2075/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 MAPT 2399/4885TP53 4847/4885KEAP1 173/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 MAPT 4418/4885TP53 4706/4885KEAP1 313/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 MAPT 256/4885TP53 4691/4885KEAP1 2193/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 MAPT 2399/4885TP53 4847/4885KEAP1 173/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 MAPT 4477/4885TP53 4575/4885KEAP1 2315/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 MAPT 3856/4885TP53 3427/4885KEAP1 961/4885

“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.