SCHEMBL6313370

SCHEMBL6313370

CCc1c(C(=O)O)cnn1-c1ccc2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.61
MCL1 Q07820 1/20 0.45
HSD11B1 P28845 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FGFR1 P11362 3/20 0.41
FGFR2 P21802 3/20 0.41
FGFR3 P22607 3/20 0.41
SRC P12931 2/20 0.40
FGFR4 P22455 2/20 0.40
KDR P35968 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
PLK1 P53350 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
SCHEMBL6312734 0.91 NR4A3 (0.49) NR4A3MCL1ALDH1A1LMNAKDM4E
SCHEMBL6428367 0.87 HPGD (0.47) NR4A3ALDH1A1SMN1; SMN2FGFR2KDM4E
SCHEMBL4458516 0.85 SLC9A1 (0.49) NR4A3MALT1ALDH1A1LMNASMN1; SMN2
SCHEMBL6314218 0.84 ALDH1A1 (0.48) MCL1ALDH1A1LMNASMN1; SMN2FGFR1
Hydrochloric Acid SCHEMBL6313517 0.84 SLC9A1 (0.48) NR4A3MALT1ALDH1A1LMNASMN1; SMN2
SCHEMBL4458512 0.83 MALT1 (0.43) NR4A3HSD11B1MALT1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6313508 0.82 MALT1 (0.42) NR4A3HSD11B1MALT1LMNASMN1; SMN2
SCHEMBL6314248 0.82 NR4A3 (0.59) NR4A3HSD11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL6313072 0.81 PTGER4 (0.47) MCL1HSD11B1MALT1ALDH1A1LMNA
SCHEMBL6311969 0.81 NFE2L2 (0.62) HSD11B1

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 5 patents. 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 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
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO 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 (1 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 NR4A3 2011/4885MCL1 1721/4885HSD11B1 576/4885

“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.