SCHEMBL1026520

SCHEMBL1026520

Cc1cc2c(C)nn(C3CCCCO3)c2cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
MCOLN3 Q8TDD5 2/20 0.33
ATR Q13535 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
RET P07949 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1026761 0.89 KMT2A (0.36) GAAKMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL1026965 0.86 KMT2A (0.34) GAAKMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL2565958 0.84 KMT2A (0.36) GAAKMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL5593656 0.84 KMT2A (0.36) GAAKMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL12282097 0.82 KMT2A (0.35) KMT2ACYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL25917375 0.81 CYP1A2 (0.39) GAACYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL16308649 0.81 MAPT (0.40) GAAKMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL29672454 0.81 MAPT (0.40) GAAKMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL1026714 0.81 GAA (0.47) GAACYP4F2CYP4A11ALDH1A1CYP2C19
SCHEMBL1026835 0.79 RXRA (0.45) GAAKMT2ACYP4F2CYP4A11ALDH1A1

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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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 (2 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 GAA 541/4885KMT2A 2852/4885CYP4F2 4536/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 GAA 1870/4885KMT2A 1006/4885CYP4F2 997/4885

“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.