SCHEMBL12173138

SCHEMBL12173138

Cc1cccc(COc2ccc(NC(=O)c3c(C(=O)O)cccc3[N+](=O)[O-])cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ CTSV O60911 2/20 0.48
▸ CTSL P07711 2/20 0.48
▸ MRGPRX4 Q96LA9 2/20 0.48
▸ EGFR P00533 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CYP19A1 P11511 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44
▸ ERBB2 P04626 1/20 0.43
▸ CLCN2 P51788 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL16425599 0.92 POLB (0.60) POLBMEN1KMT2ACTSVCTSL
SCHEMBL12189432 0.87 MRGPRX4 (0.56) POLBCTSVCTSLMRGPRX4LRRK2
SCHEMBL12189464 0.86 POLB (0.52) POLBMEN1KMT2ACTSVCTSL
SCHEMBL12173161 0.84 MEN1 (0.53) MEN1KMT2ACTSVCTSLMRGPRX4
SCHEMBL12173124 0.84 MEN1 (0.59) MEN1KMT2AMRGPRX4EGFRALDH1A1
SCHEMBL12173118 0.81 MRGPRX4 (0.55) MEN1KMT2AMRGPRX4EGFRLRRK2
SCHEMBL12173159 0.80 MRGPRX4 (0.52) MEN1KMT2AMRGPRX4EGFRLRRK2
SCHEMBL12173126 0.80 MRGPRX4 (0.53) MEN1KMT2AMRGPRX4EGFRLRRK2
SCHEMBL12173117 0.80 MEN1 (0.54) MEN1KMT2AMRGPRX4EGFRALDH1A1
SCHEMBL16573839 0.80 POLB (0.69) POLBMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 — — US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — 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 (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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 POLB 441/4885MEN1 2365/4885KMT2A 1142/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 POLB 441/4885MEN1 2365/4885KMT2A 1142/4885

“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.

Send feedback