SCHEMBL4555019

SCHEMBL4555019

CN(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
TP53 P04637 1/20 0.53
TACR1 P25103 3/20 0.49
GPR35 Q9HC97 1/20 0.49
P2RX1 P51575 6/20 0.47
LMNA P02545 1/20 0.47
MLYCD O95822 1/20 0.47
ACP1 P24666 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TMPRSS4 Q9NRS4 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 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
SCHEMBL16518676 0.88 MLYCD (0.63) MAPTTP53TACR1P2RX1LMNA
SCHEMBL12587142 0.84 TP53 (0.71) MAPTTP53TACR1GPR35P2RX1
SCHEMBL12513373 0.83 TACR1 (0.51) MAPTTP53TACR1GPR35P2RX1
SCHEMBL10220055 0.82 P2RX1 (0.48) MAPTTP53P2RX1MLYCDTMPRSS4
SCHEMBL11306120 0.81 LMNA (0.54) MAPTTACR1GPR35P2RX1LMNA
SCHEMBL10220690 0.79 P2RX1 (0.46) MAPTTP53P2RX1MLYCDTMPRSS4
SCHEMBL11006983 0.78 TACR1 (0.57) MAPTTACR1P2RX1
SCHEMBL15397669 0.77 TACR1 (0.59) MAPTTACR1P2RX1
SCHEMBL12435510 0.75 TACR1 (0.54) MAPTTP53TACR1P2RX1MLYCD
SCHEMBL5773763 0.74 MAPT (0.67) MAPTTACR1GPR35P2RX1LMNA

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
WO-2010138820-A2 N,N-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT MAPT 1631/4885TP53 1092/4885TACR1 4774/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MAPT 1631/4885TP53 1092/4885TACR1 4774/4885

“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.