SCHEMBL1025994

SCHEMBL1025994

Cc1cc2c(cc1[N+](=O)[O-])C(=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HPGD P15428 1/20 0.41
▸ MAOA P21397 4/20 0.40
▸ MAOB P27338 4/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL1025369 0.90 ALDH1A1 (0.40) MAPK1NPSR1HPGDCRHBPCRHR2
SCHEMBL3823148 0.83 TSHR (0.44) MAPK1HPGDCRHBPCRHR2MCOLN3
SCHEMBL25276892 0.81 MAPT (0.49) KMT2AMAPK1MEN1NPSR1MAOA
SCHEMBL1025249 0.80 HSD17B1 (0.45) KMT2AMAPK1MEN1NPSR1HPGD
SCHEMBL1275258 0.79 MEN1 (0.55) KMT2AMAPK1MEN1NPSR1MAOA
SCHEMBL18856495 0.76 HPGD (0.37) MAPK1NPSR1HPGDCRHBPCRHR2
SCHEMBL18875036 0.75 PARP10 (0.50) KMT2AMEN1ALDH1A1MAPT
SCHEMBL10389435 0.75 MEN1 (0.50) KMT2AMAPK1MEN1NPSR1MAOA
SCHEMBL10389430 0.75 MEN1 (0.50) KMT2AMAPK1MEN1NPSR1MAOA
SCHEMBL27156530 0.74 MEN1 (0.50) KMT2AMEN1HPGDCRHBPCRHR2

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 KMT2A 2852/4885MAPK1 977/4885MEN1 2301/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 KMT2A 1006/4885MAPK1 1248/4885MEN1 514/4885

“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.

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