SCHEMBL6312258

SCHEMBL6312258

COc1cccc(-n2cc(C(=O)O)c(C)n2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.44
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MYC P01106 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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 SCHEMBL6321407 0.82 SLC9A1 (0.39) KMT2AHSD17B10
Hydrochloric Acid SCHEMBL6319214 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAATML3MBTL1
SCHEMBL721434 0.76 KMT2A (0.47) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL1803916 0.73 NOTUM (0.52) ALKBH1MAPTTDP1ALDH1A1HPGD
SCHEMBL9191986 0.73 MAPT (0.58) MAPTTDP1ALDH1A1HPGDKMT2A
SCHEMBL6313367 0.72 ALKBH1 (0.47) ALKBH1MAPTTDP1ALDH1A1HPGD
SCHEMBL14692523 0.72 NOTUM (0.56) ALKBH1NOTUM
SCHEMBL29603325 0.71 MAPT (0.59) MAPTTDP1ALDH1A1HPGDKMT2A
SCHEMBL152563 0.71 MAPT (0.59) MAPTTDP1ALDH1A1HPGDKMT2A
SCHEMBL6052367 0.71 L3MBTL1 (0.63) ALKBH1MAPTALDH1A1HPGDKMT2A

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 ALKBH1 1179/4885MAPT 4418/4885TDP1 768/4885

“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.