SCHEMBL12173161

SCHEMBL12173161

Cc1cccc(COc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(=O)O)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ AKR1C3 P42330 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ PPARG P37231 2/20 0.48
▸ LRRK2 Q5S007 1/20 0.48
▸ MAPT P10636 6/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 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 0.86 MEN1 (0.59) MEN1KMT2AALDH1A1MRGPRX4LRRK2
SCHEMBL12189427 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1MRGPRX4PPARG
SCHEMBL12173138 0.84 POLB (0.53) MEN1KMT2AALDH1A1MRGPRX4LRRK2
SCHEMBL12173160 0.81 LRRK2 (0.54) MEN1KMT2AMRGPRX4LRRK2EGFR
SCHEMBL12173128 0.81 MAPT (0.55) MEN1KMT2AALDH1A1MRGPRX4MAPT
SCHEMBL12173159 0.78 MRGPRX4 (0.52) MEN1KMT2AMRGPRX4LRRK2CYP1A2
SCHEMBL12173118 0.78 MRGPRX4 (0.55) MEN1KMT2AMRGPRX4LRRK2MAPT
SCHEMBL12173182 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL27792367 0.77 MEN1 (0.60) MEN1KMT2AALDH1A1AKR1C3LRRK2
SCHEMBL12172997 0.77 PARP1 (0.61) MEN1KMT2AMRGPRX4LRRK2MAPT

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 MEN1 2365/4885KMT2A 1142/4885ALDH1A1 1052/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MEN1 2365/4885KMT2A 1142/4885ALDH1A1 1052/4885

“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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