SCHEMBL2982452

SCHEMBL2982452

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

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
KDM4E B2RXH2 3/20 0.77
NPC1 O15118 3/20 0.77
RAB9A P51151 3/20 0.77
MAPT P10636 2/20 0.77
PKM P14618 1/20 0.77
BCAT2 O15382 1/20 0.73
KCNQ3 O43525 1/20 0.63
KCNQ2 O43526 1/20 0.63
KCNE1 P15382 1/20 0.63
KCNQ1 P51787 1/20 0.63
NQO2 P16083 2/20 0.61
DEGS1 O15121 1/20 0.59
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
SNCA P37840 1/20 0.58
TOP1 P11387 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
SCHEMBL6557523 0.90 NPC1 (0.77) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL4254150 0.88 MEN1 (0.80) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL4254970 0.85 RAB9A (0.75) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL3089807 0.85 MEN1 (0.75) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL667807 0.85 BCAT2 (0.77) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL3645013 0.84 MEN1 (0.74) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL2696198 0.82 KDM4E (0.74) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL2697884 0.82 KDM4E (0.74) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL6928173 0.82 MEN1 (0.71) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL12190100 0.82 MEN1 (0.71) MEN1KMT2AKDM4ENPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-8492437-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-07-23 US disclosed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP disclosed
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-08-09 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 US disclosed
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 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 (3 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-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 MEN1 4149/4885KMT2A 505/4885KDM4E 1078/4885
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK MEN1 2290/4885KMT2A 995/4885KDM4E 1937/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 MEN1 4149/4885KMT2A 505/4885KDM4E 1078/4885

“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.