SCHEMBL12190091

SCHEMBL12190091

O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
KDM4E B2RXH2 3/20 0.71
MAPT P10636 1/20 0.71
PKM P14618 1/20 0.71
BCAT2 O15382 1/20 0.68
FFAR1 O14842 1/20 0.64
PTGDR2 Q9Y5Y4 1/20 0.59
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
KCNE1 P15382 1/20 0.58
KCNQ1 P51787 1/20 0.58
PRMT1 Q99873 1/20 0.57
SMO Q99835 1/20 0.56
POLB P06746 1/20 0.56
SRD5A2 P31213 1/20 0.56

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
SCHEMBL3645013 0.90 MEN1 (0.74) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12190100 0.88 MEN1 (0.71) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12190102 0.84 KDM4E (0.72) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4254150 0.83 MEN1 (0.80) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4254257 0.83 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL30369807 0.83 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL8768933 0.83 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5344166 0.83 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL31432724 0.83 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL333237 0.83 SRD5A2 (0.78) NPC1RAB9AMEN1KMT2ASRD5A2

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 NPC1 2813/4885RAB9A 3788/4885MEN1 2365/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 NPC1 2813/4885RAB9A 3788/4885MEN1 2365/4885

“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.