SCHEMBL6314248

SCHEMBL6314248

CCc1c(C(=O)O)cnn1-c1ccc2nc(C)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.59
HSD11B1 P28845 1/20 0.43
RAB9A P51151 5/20 0.40
NPC1 O15118 5/20 0.40
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SPR P35270 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
MAPK14 Q16539 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL6428348 0.87 ALDH1A1 (0.47) NR4A3RAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6319220 0.84 SLC9A1 (0.45) NR4A3HSD11B1RAB9ANPC1KDM4E
SCHEMBL6313370 0.82 NR4A3 (0.61) NR4A3HSD11B1RAB9AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6319211 0.82 HSD11B1 (0.40) NR4A3HSD11B1RAB9ANPC1KDM4E
SCHEMBL6313435 0.79 NR4A3 (0.56) NR4A3
SCHEMBL6313429 0.77 NR4A3 (0.56) NR4A3
SCHEMBL6320043 0.75 NR4A3 (0.57) NR4A3HSD11B1RAB9ANPC1KDM4E
SCHEMBL6313878 0.75 NR4A3 (0.57) NR4A3HSD11B1RAB9AKDM4ESMN1; SMN2
SCHEMBL6312388 0.75 NR4A3 (0.57) NR4A3HSD11B1ALDH1A1KEAP1NFE2L2
SCHEMBL1905624 0.75 NR4A3 (1.00) NR4A3HSD11B1RAB9ANPC1SMN1; SMN2

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 2011/4885HSD11B1 576/4885RAB9A 2117/4885

“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.