SCHEMBL6312976

SCHEMBL6312976

Cc1nn(-c2ccc3ccccc3c2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
ALKBH1 Q13686 1/20 0.49
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4298023 0.83 ALDH1A1 (0.59) KDM4ENPC1ALKBH1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL6320279 0.81 NPC1 (0.46) KDM4ENPC1RAB9AALDH1A1GAA
Hydrochloric Acid SCHEMBL6319288 0.79 KDM4E (0.44) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL6763728 0.79 ALKBH1 (0.48) KDM4ENPC1ALKBH1RAB9AALDH1A1
SCHEMBL20552556 0.78 ALDH1A1 (0.44) KDM4ENPC1ALKBH1RAB9AALDH1A1
SCHEMBL14692464 0.78 PKM (0.57) KDM4ENPC1ALKBH1RAB9AALDH1A1
SCHEMBL27660245 0.77 LMNA (0.44) KDM4ENPC1ALKBH1RAB9AALDH1A1
SCHEMBL6052367 0.77 L3MBTL1 (0.63) KDM4ENPC1ALKBH1RAB9AALDH1A1
SCHEMBL6052366 0.76 NOTUM (0.49) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL6052337 0.76 NOTUM (0.49) KDM4ENPC1ALKBH1RAB9AALDH1A1

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 264/4885ALKBH1 1179/4885

“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.