SCHEMBL12173160

SCHEMBL12173160

Cc1cccc(COc2ccc(NC(=O)c3cnccc3C(=O)O)cc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.54
▸ MRGPRX4 Q96LA9 3/20 0.51
▸ SGMS2 Q8NHU3 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ EGFR P00533 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.46
▸ CSF1R P07333 1/20 0.46

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
SCHEMBL12173124 0.88 MEN1 (0.59) LRRK2MRGPRX4MEN1KMT2AEGFR
SCHEMBL12189466 0.85 KDM5A (0.53) LRRK2MRGPRX4SGMS2KMT2AEGFR
SCHEMBL12173159 0.84 MRGPRX4 (0.52) LRRK2MRGPRX4SGMS2MEN1KMT2A
SCHEMBL12173161 0.81 MEN1 (0.53) LRRK2MRGPRX4MEN1KMT2AEGFR
SCHEMBL12173118 0.80 MRGPRX4 (0.55) LRRK2MRGPRX4MEN1KMT2AEGFR
SCHEMBL12172997 0.79 PARP1 (0.61) LRRK2MRGPRX4SGMS2MEN1KMT2A
SCHEMBL12173117 0.78 MEN1 (0.54) LRRK2MRGPRX4MEN1KMT2AEGFR
SCHEMBL12173126 0.78 MRGPRX4 (0.53) LRRK2MRGPRX4MEN1KMT2AEGFR
SCHEMBL12173138 0.78 POLB (0.53) LRRK2MRGPRX4MEN1KMT2AEGFR
SCHEMBL12173176 0.77 MRGPRX4 (0.53) LRRK2MRGPRX4MEN1KMT2AEGFR

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 LRRK2 3721/4885MRGPRX4 2390/4885SGMS2 4188/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 LRRK2 3721/4885MRGPRX4 2390/4885SGMS2 4188/4885

“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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