SCHEMBL12189652

SCHEMBL12189652

O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.63
BRAF P15056 1/20 0.63
MAPT P10636 2/20 0.62
CASP3 P42574 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
PLAU P00749 1/20 0.62
GRM5 P41594 2/20 0.61
HDAC8 Q9BY41 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
NLRP3 Q96P20 1/20 0.59
TP53 P04637 1/20 0.58
FFAR1 O14842 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL3680125 0.93 BRAF (0.61) NR1H4BRAFMAPTCASP3SENP7
SCHEMBL12189607 0.90 PGR (0.72) NR1H4BRAFMAPTCASP3SENP7
SCHEMBL22543145 0.88 NR1H4 (0.78) NR1H4BRAFMAPTHTTMEN1
SCHEMBL12412710 0.86 GRM5 (0.82) BRAFMEN1KMT2AGRM5ALDH1A1
SCHEMBL6059250 0.85 TP53 (0.66) BRAFCASP3SENP7HTTGRM5
SCHEMBL7152809 0.85 FFAR1 (0.75) NR1H4CASP3SENP7MEN1KMT2A
SCHEMBL3827286 0.85 HDAC1 (0.72) MAPTCASP3SENP7MEN1KMT2A
SCHEMBL4255493 0.84 RXFP1 (0.81) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL13601054 0.84 NPC1 (0.77) NR1H4CASP3SENP7MEN1KMT2A
SCHEMBL3670066 0.83 SMN1; SMN2 (0.72) MAPTCASP3SENP7MEN1KMT2A

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 NR1H4 1960/4885BRAF 3971/4885MAPT 2792/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 NR1H4 1960/4885BRAF 3971/4885MAPT 2792/4885

“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.