SCHEMBL4452480

SCHEMBL4452480

N=C(N)NC(=O)c1cnn(-c2ccc(Cl)cc2C(F)(F)F)c1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
CNR1 P21554 3/20 0.39
SLC9A1 P19634 2/20 0.39
SLC9A2 Q9UBY0 2/20 0.39
CNR2 P34972 1/20 0.39
TP53 P04637 3/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.36
SHMT2 P34897 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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 SCHEMBL6311618 0.99 SMN1; SMN2 (0.41) SMN1; SMN2HTTCNR1SLC9A1SLC9A2
SCHEMBL4452076 0.89 TP53 (0.47) SMN1; SMN2SLC9A1SLC9A2TP53THRB
Hydrochloric Acid SCHEMBL6311494 0.88 TP53 (0.46) SMN1; SMN2SLC9A1SLC9A2TP53THRB
SCHEMBL7362661 0.87 MALT1 (0.44) SLC9A1SLC9A2MALT1
Hydrochloric Acid SCHEMBL6313172 0.86 CNR1 (0.51) SMN1; SMN2HTTCNR1SLC9A1SLC9A2
SCHEMBL4450205 0.86 SLC9A1 (0.48) HTTSLC9A1SLC9A2TP53THRB
SCHEMBL6482935 0.86 TP53 (0.43) SLC9A1SLC9A2TP53THRBMAPT
Hydrochloric Acid SCHEMBL6314755 0.85 SLC9A1 (0.48) HTTSLC9A1SLC9A2TP53THRB
SCHEMBL4458341 0.85 CNR1 (0.42) SMN1; SMN2HTTCNR1SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL6321489 0.84 SLC9A1 (0.47) HTTSLC9A1SLC9A2TP53THRB

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 67 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-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 (9 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 SMN1; SMN2 1665/4885HTT 4072/4885CNR1 349/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 SMN1; SMN2 2475/4885HTT 390/4885CNR1 2790/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 SMN1; SMN2 1571/4885HTT 733/4885CNR1 2370/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 SMN1; SMN2 1771/4885HTT 4438/4885CNR1 201/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SMN1; SMN2 539/4885HTT 2370/4885CNR1 2730/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 SMN1; SMN2 2475/4885HTT 390/4885CNR1 2790/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SMN1; SMN2 539/4885HTT 2370/4885CNR1 2730/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 SMN1; SMN2 2362/4885HTT 4102/4885CNR1 301/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 SMN1; SMN2 2219/4885HTT 1379/4885CNR1 1549/4885

“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.