SCHEMBL2682205

SCHEMBL2682205

CN(C)c1cc(=O)c2c(ccc3ccccc32)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.57
ABCG2 Q9UNQ0 3/20 0.57
PAX8 Q06710 2/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
FYN P06241 1/20 0.57
MAPK3 P27361 1/20 0.57
TDP1 Q9NUW8 3/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PRKDC P78527 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2682130 0.85 AHR (0.52) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL11750612 0.84 AHR (0.54) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL11748262 0.84 AHR (0.54) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL7325075 0.78 TNKS (0.58) ABCG2TDP1NPC1RAB9ATP53
SCHEMBL16736777 0.78 PRKDC (0.73) ABCG2PAX8CYP1A1CYP1A2TDP1
SCHEMBL11747118 0.77 AHR (0.50) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL11748007 0.76 AHR (0.59) AHRABCG2PAX8CYP1A1CYP1A2
Beta-Naphthoflavone SCHEMBL29357406 0.73 ABCG2 (1.00) AHRABCG2PAX8CYP1A1CYP1A2
Beta-Naphthoflavone SCHEMBL29881204 0.73 ABCG2 (1.00) AHRABCG2PAX8CYP1A1CYP1A2
SCHEMBL12325515 0.73 AHR (0.59) AHRABCG2PAX8CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-4001424-A 1-Oxo-1H-naphtho [2,1-b] pyran derivatives for treating depression CARLO ERBA S.P.A. (IT) 1977-01-04 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT AHR 3826/4885ABCG2 4858/4885PAX8 2887/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT AHR 3826/4885ABCG2 4858/4885PAX8 2887/4885

“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.