SCHEMBL4448908

SCHEMBL4448908

Cc1c(C(=O)NC(=N)N)cnn1-c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
WNT3A P56704 1/20 0.43
CCR1 P32246 3/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
PKM P14618 2/20 0.42
MALT1 Q9UDY8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHB3 P54753 1/20 0.40
NAMPT P43490 1/20 0.40
HPGD P15428 2/20 0.40
SCN9A Q15858 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 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 SCHEMBL6312328 0.99 NPC1 (0.42) NPC1RAB9AWNT3ACCR1MAPK13
SCHEMBL6479960 0.94 CCR1 (0.43) NPC1RAB9AWNT3ACCR1MAPK13
SCHEMBL4450205 0.84 SLC9A1 (0.48) MAPK13MAPK12MAPK11MAPK14MALT1
Hydrochloric Acid SCHEMBL6314755 0.83 SLC9A1 (0.48) MAPK13MAPK12MAPK11MAPK14MALT1
SCHEMBL4450635 0.82 MALT1 (0.43) NPC1RAB9AWNT3APKMMALT1
Hydrochloric Acid SCHEMBL6321489 0.82 SLC9A1 (0.47) MAPK13MAPK12MAPK11MAPK14MALT1
Hydrochloric Acid SCHEMBL6314164 0.81 MALT1 (0.43) NPC1RAB9AWNT3APKMMALT1
SCHEMBL6311652 0.81 SLC9A1 (0.47) NPC1RAB9AWNT3APKMMALT1
Hydrochloric Acid SCHEMBL6312643 0.81 SLC9A1 (0.47) NPC1RAB9AWNT3APKMMALT1
Hydrochloric Acid SCHEMBL6319807 0.80 MAPK14 (0.51) NPC1RAB9AWNT3AMAPK14PKM

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 51 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
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US 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-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
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
EP-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 EP disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US 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 (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-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 NPC1 252/4885RAB9A 3039/4885WNT3A 3202/4885
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 NPC1 718/4885RAB9A 1550/4885WNT3A 4839/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 NPC1 3228/4885RAB9A 3923/4885WNT3A 1351/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 NPC1 491/4885RAB9A 2389/4885WNT3A 4757/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 NPC1 264/4885RAB9A 2117/4885WNT3A 4052/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 NPC1 252/4885RAB9A 3039/4885WNT3A 3202/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 NPC1 491/4885RAB9A 2389/4885WNT3A 4757/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 NPC1 3627/4885RAB9A 4142/4885WNT3A 1129/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 NPC1 856/4885RAB9A 3272/4885WNT3A 4544/4885

“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.