SCHEMBL12190073

SCHEMBL12190073

O=C(O)c1ccc(C(=O)NCc2ccco2)c(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
HPGD P15428 6/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MLYCD O95822 1/20 0.53

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
SCHEMBL12189529 0.95 TDP1 (0.57) TDP1HPGDMAPTNPC1TP53
SCHEMBL12172824 0.84 NPSR1 (0.72) TDP1HPGDMAPTTSHRNPSR1
SCHEMBL5053005 0.80 KDM4E (0.62) TDP1HPGDMAPTNPC1TP53
SCHEMBL5053292 0.80 KDM4E (0.59) TDP1HPGDMAPTNPC1TP53
SCHEMBL1490952 0.76 HPGD (0.76) TDP1HPGDMAPTNPC1TP53
SCHEMBL1394361 0.74 HPGD (0.72) TDP1HPGDMAPTNPC1TP53
SCHEMBL4491643 0.74 TDP1 (0.75) TDP1HPGDMAPTNPC1TP53
SCHEMBL11089749 0.73 HPGD (0.68) TDP1HPGDMAPTNPC1TP53
SCHEMBL1403631 0.73 ALDH1A1 (0.63) TDP1HPGDMAPTNPC1TSHR
SCHEMBL2422719 0.73 TDP1 (0.73) TDP1HPGDMAPTNPC1TP53

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 4 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
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 WO 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 TDP1 2961/4885HPGD 926/4885MAPT 2792/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 TDP1 2961/4885HPGD 926/4885MAPT 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.