SCHEMBL12173126

SCHEMBL12173126

Cc1cccc(COc2ccc(NC(=O)c3c(Br)c(Br)c(Br)c(Br)c3C(=O)O)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 6/20 0.53
▸ LRRK2 Q5S007 2/20 0.52
▸ NR1H4 Q96RI1 2/20 0.48
▸ EGFR P00533 5/20 0.47
▸ ERBB2 P04626 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ ACP1 P24666 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN13 Q12923 1/20 0.46
▸ SSU72 Q9NP77 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
SCHEMBL12172952 0.90 EGFR (0.56) MRGPRX4LRRK2EGFRERBB2HDAC3
SCHEMBL12173118 0.88 MRGPRX4 (0.55) MRGPRX4LRRK2NR1H4EGFRERBB2
SCHEMBL12173117 0.86 MEN1 (0.54) MRGPRX4LRRK2NR1H4EGFRERBB2
SCHEMBL12172740 0.86 MRGPRX4 (0.61) MRGPRX4LRRK2
SCHEMBL12189428 0.84 MRGPRX4 (0.51) MRGPRX4LRRK2EGFRERBB2HDAC3
SCHEMBL12173119 0.83 MRGPRX4 (0.44) MRGPRX4EGFRERBB2HDAC1HDAC2
SCHEMBL12173124 0.83 MEN1 (0.59) MRGPRX4LRRK2NR1H4EGFRACP1
SCHEMBL12173138 0.80 POLB (0.53) MRGPRX4LRRK2NR1H4EGFRERBB2
SCHEMBL12173006 0.80 EGFR (0.56) MRGPRX4LRRK2EGFRERBB2ACP1
SCHEMBL12173176 0.80 MRGPRX4 (0.53) MRGPRX4LRRK2NR1H4EGFRACP1

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 2390/4885LRRK2 3721/4885NR1H4 1960/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MRGPRX4 2390/4885LRRK2 3721/4885NR1H4 1960/4885

“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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