SCHEMBL6320459

SCHEMBL6320459

CCc1c(C(=O)OC)cnn1-c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PAX8 Q06710 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
KDM4D Q6B0I6 1/20 0.44

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
SCHEMBL6313980 0.87 NR4A3 (0.60) KDM4ENPC1RAB9APAX8TDP1
Hydrochloric Acid SCHEMBL6318432 0.81 KDM4E (0.42) KDM4ENPC1RAB9APAX8TDP1
SCHEMBL1192003 0.77 KDM4E (0.51) KDM4ENPC1RAB9APAX8TDP1
SCHEMBL6429825 0.77 NR4A3 (0.46) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL6312400 0.77 MEN1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL1907312 0.76 NR4A3 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6315436 0.76 NR4A3 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6312681 0.75 MAPT (0.53) KDM4ENPC1RAB9ATDP1ALDH1A1
SCHEMBL6312652 0.75 FGFR1 (0.45) KDM4EMAPTALOX15NR4A3
SCHEMBL6312659 0.75 FGFR1 (0.52)

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 KDM4E 3920/4885NPC1 264/4885RAB9A 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.