SCHEMBL4548130

SCHEMBL4548130

Cc1cc(C)c(NC(=O)Nc2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.58
ATM Q13315 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 3/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
NLRP1 Q9C000 1/20 0.56
EPHX1 P07099 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56
PDE4A P27815 1/20 0.56
EPHX2 P34913 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 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
SCHEMBL21230469 0.85 IDH1 (0.65) CNR1MEN1KMT2ARAB9AMAPT
SCHEMBL16857521 0.83 MAPT (0.63) CNR1ATMMEN1KMT2ARAB9A
SCHEMBL3026575 0.82 RAB9A (0.70) CNR1MEN1KMT2ARAB9AMAPT
SCHEMBL4448022 0.82 ALDH1A1 (0.65) ATMMEN1KMT2AMAPTALDH1A1
SCHEMBL4548043 0.81 SMN1; SMN2 (0.74) CNR1MEN1KMT2ARAB9AMAPT
SCHEMBL8004976 0.80 MDM2 (0.63) ATMMEN1KMT2ARAB9AMAPT
SCHEMBL11048619 0.80 MEN1 (0.76) CNR1MEN1KMT2ARAB9AMAPT
SCHEMBL4741253 0.80 MEN1 (0.76) CNR1MEN1KMT2ARAB9AMAPT
SCHEMBL28832239 0.80 ATM (0.53) ATMMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4113264 0.79 IDH1 (0.69) CNR1MEN1KMT2ARAB9AMAPT

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 8 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-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-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-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-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

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 CNR1 3839/4885ATM 4689/4885MEN1 2936/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT CNR1 3839/4885ATM 4689/4885MEN1 2936/4885

“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.