SCHEMBL10148173

SCHEMBL10148173

Cc1ccc(-c2csc(NCc3cccc([N+](=O)[O-])c3)n2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.55
MAOB P27338 11/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CSNK2A1 P68400 1/20 0.52
MAPT P10636 4/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.50

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
SCHEMBL10148164 0.81 KMO (0.67) MAOAMAOBMEN1KMT2ACSNK2A1
SCHEMBL17149219 0.74 CSNK2A1 (0.71) MAOAMAOBMEN1KMT2ACSNK2A1
SCHEMBL30294205 0.71 CSNK2A1 (0.71) MAOAMAOBMEN1KMT2ACSNK2A1
SCHEMBL5585452 0.71 MAPT (0.62) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL10962764 0.71 KMT2A (0.74) MAOAMAOBMEN1KMT2ACSNK2A1
SCHEMBL5118824 0.70 ESR1 (0.59) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL15689083 0.70 RAB9A (0.73) MAOAMAOBMEN1KMT2ACSNK2A1
SCHEMBL31247865 0.69 MAPT (0.67) MAOAMAOBMEN1KMT2ACSNK2A1
SCHEMBL8355111 0.69 MEN1 (0.65) MAOAMAOBMEN1KMT2ACSNK2A1
SCHEMBL6959871 0.69 KMT2A (0.61) MAOAMAOBMEN1KMT2ACSNK2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710237-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTE (US) 2014-04-29 US disclosed
US-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER 2012-01-26 US 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-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 MAOA 8/4885MAOB 7/4885MEN1 3270/4885

“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.