SCHEMBL12173159

SCHEMBL12173159

Cc1cccc(COc2ccc(NC(=O)c3ncccc3C(=O)O)cc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LRRK2 Q5S007 2/20 0.48
▸ GRM4 Q14833 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ NR1H4 Q96RI1 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CLCN2 P51788 1/20 0.46
▸ EGFR P00533 2/20 0.46
▸ SGMS2 Q8NHU3 1/20 0.45
▸ ACP1 P24666 1/20 0.45
▸ PTPN12 Q05209 1/20 0.45
▸ PTPN13 Q12923 1/20 0.45
▸ SSU72 Q9NP77 1/20 0.45

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 0.87 MEN1 (0.59) MRGPRX4MEN1KMT2ALRRK2NR1H4
SCHEMBL12189467 0.85 MRGPRX4 (0.49) MRGPRX4LRRK2GRM4CYP1A2CYP3A4
SCHEMBL12173160 0.84 LRRK2 (0.54) MRGPRX4MEN1KMT2ALRRK2NR1H4
SCHEMBL12173118 0.81 MRGPRX4 (0.55) MRGPRX4MEN1KMT2ALRRK2NR1H4
SCHEMBL12173138 0.80 POLB (0.53) MRGPRX4MEN1KMT2ALRRK2NR1H4
SCHEMBL12173117 0.79 MEN1 (0.54) MRGPRX4MEN1KMT2ALRRK2NR1H4
SCHEMBL12173126 0.79 MRGPRX4 (0.53) MRGPRX4MEN1KMT2ALRRK2NR1H4
SCHEMBL12173161 0.78 MEN1 (0.53) MRGPRX4MEN1KMT2ALRRK2CYP1A2
SCHEMBL12173176 0.78 MRGPRX4 (0.53) MRGPRX4MEN1KMT2ALRRK2NR1H4
SCHEMBL12172997 0.77 PARP1 (0.61) MRGPRX4MEN1KMT2ALRRK2CLCN2

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 MRGPRX4 2390/4885MEN1 2365/4885KMT2A 1142/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MRGPRX4 2390/4885MEN1 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.

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