SCHEMBL12189596

SCHEMBL12189596

O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.70
MEN1 O00255 6/20 0.70
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
TP53 P04637 2/20 0.66
SMN1; SMN2 Q16637 5/20 0.65
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
FFAR1 O14842 1/20 0.64
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
KDM4E B2RXH2 2/20 0.59
BRD4 O60885 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
SCHEMBL3827286 0.90 HDAC1 (0.72) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL12189683 0.88 PTPN1 (0.67) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL3675929 0.87 TP53 (0.86) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL12189605 0.84 SMN1; SMN2 (0.62) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL12189607 0.84 PGR (0.72) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL8768933 0.83 NPC1 (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL31432724 0.83 NPC1 (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL5344166 0.83 NPC1 (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL20476334 0.83 SMN1; SMN2 (0.71) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL17664561 0.83 RAB9A (0.71) KMT2AMEN1RAB9ANPC1TP53

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 KMT2A 1142/4885MEN1 2365/4885RAB9A 3788/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885MEN1 2365/4885RAB9A 3788/4885

“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.