SCHEMBL6311652

SCHEMBL6311652

Cc1c(C(=O)NC(=N)N)cnn1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.47
SLC9A2 Q9UBY0 2/20 0.47
WNT3A P56704 1/20 0.47
RAB9A P51151 7/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MALT1 Q9UDY8 6/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 6/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.40

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 SCHEMBL6312643 0.99 SLC9A1 (0.47) SLC9A1SLC9A2WNT3ARAB9AALDH1A1
Hydrochloric Acid SCHEMBL6320756 0.89 MALT1 (0.44) SLC9A1SLC9A2WNT3ARAB9AALDH1A1
Hydrochloric Acid SCHEMBL6314133 0.85 SLC9A1 (0.66) SLC9A1SLC9A2MALT1
SCHEMBL4450635 0.84 MALT1 (0.43) SLC9A1SLC9A2WNT3ARAB9AMALT1
Hydrochloric Acid SCHEMBL6314164 0.83 MALT1 (0.43) SLC9A1SLC9A2WNT3ARAB9AMALT1
Hydrochloric Acid SCHEMBL6319579 0.83 MALT1 (0.59) SLC9A1SLC9A2WNT3AMALT1HPGD
Hydrochloric Acid SCHEMBL6315667 0.83 SLC9A1 (0.46) SLC9A1WNT3ARAB9AALDH1A1MAPT
SCHEMBL6314100 0.83 SLC9A1 (0.70) SLC9A1SLC9A2ALDH1A1LMNAMALT1
Hydrochloric Acid SCHEMBL6321402 0.82 SLC9A1 (0.69) SLC9A1SLC9A2ALDH1A1LMNAMALT1
Hydrochloric Acid SCHEMBL6319807 0.81 MAPK14 (0.51) SLC9A1SLC9A2WNT3ARAB9AALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors PFIZER INC. 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
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-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 disclosed
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 disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
CN-1370531-A Combined therapy PFIZER PRODUCT CO (US) 2002-09-25 CN disclosed
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 disclosed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 US disclosed
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 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 (3 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-20030212104-A1 Treatment of diabetes and diabetic complications with NHE-1 inhibitors NHERF1, SLC5A1, SLC5A2 SLC9A1 6/4885SLC9A2 7/4885WNT3A 4839/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 SLC9A1 5/4885SLC9A2 12/4885WNT3A 4052/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 SLC9A1 2/4885SLC9A2 13/4885WNT3A 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.