SCHEMBL4452217

SCHEMBL4452217

N=C(N)NC(=O)c1cnn(-c2ccccc2)c1C1CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.67
NFE2L2 Q16236 5/20 0.67
SLC9A1 P19634 2/20 0.65
SLC9A2 Q9UBY0 2/20 0.65
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.50
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD11B1 P28845 3/20 0.49
LMNA P02545 2/20 0.47
RIPK2 O43353 1/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 2/20 0.45
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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 SCHEMBL6312407 0.99 KEAP1 (0.66) KEAP1NFE2L2SLC9A1SLC9A2ALDH1A1
SCHEMBL7360447 0.88 KEAP1 (0.53) KEAP1NFE2L2SLC9A1SLC9A2ALDH1A1
Hydrochloric Acid SCHEMBL6315553 0.85 SMN1; SMN2 (0.52) KEAP1NFE2L2SLC9A1SLC9A2ALDH1A1
SCHEMBL4446709 0.83 SLC9A1 (0.51) KEAP1NFE2L2SLC9A1SLC9A2KMT2A
SCHEMBL4456374 0.83 SLC9A1 (0.51) KEAP1NFE2L2SLC9A1SLC9A2ALDH1A1
SCHEMBL4446803 0.83 SLC9A1 (0.51) KEAP1NFE2L2SLC9A1SLC9A2MAPT
SCHEMBL6314100 0.82 SLC9A1 (0.70) KEAP1NFE2L2SLC9A1SLC9A2ALDH1A1
Hydrochloric Acid SCHEMBL6312009 0.82 SLC9A1 (0.50) KEAP1NFE2L2SLC9A1SLC9A2ALDH1A1
Hydrochloric Acid SCHEMBL6321464 0.82 SLC9A1 (0.50) KEAP1NFE2L2SLC9A1SLC9A2ALDH1A1
Hydrochloric Acid SCHEMBL6319729 0.82 SLC9A1 (0.50) KEAP1NFE2L2SLC9A1SLC9A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US claimed
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-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 (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 KEAP1 1932/4885NFE2L2 1119/4885SLC9A1 1320/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 KEAP1 2193/4885NFE2L2 4329/4885SLC9A1 20/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 KEAP1 166/4885NFE2L2 219/4885SLC9A1 6/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 KEAP1 2075/4885NFE2L2 1190/4885SLC9A1 1826/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 KEAP1 173/4885NFE2L2 708/4885SLC9A1 14/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 KEAP1 313/4885NFE2L2 450/4885SLC9A1 5/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 KEAP1 2193/4885NFE2L2 4329/4885SLC9A1 20/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 KEAP1 173/4885NFE2L2 708/4885SLC9A1 14/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 KEAP1 2315/4885NFE2L2 1252/4885SLC9A1 3134/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 KEAP1 961/4885NFE2L2 1435/4885SLC9A1 2/4885

“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.