SCHEMBL2680700

SCHEMBL2680700

CC1=CC(=Nc2ccc(N(C)C)cc2)C=CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.56
ALDH1A1 P00352 9/20 0.43
MAPK1 P28482 7/20 0.43
TSHR P16473 6/20 0.43
HSD17B10 Q99714 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
THRB P10828 4/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 4/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
RECQL P46063 2/20 0.38
MPI P34949 2/20 0.38
S1PR2 O95136 1/20 0.38

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
SCHEMBL11308089 0.83 PABPC1 (0.48) PABPC1ALDH1A1MAPK1TSHRHSD17B10
SCHEMBL9488788 0.81 PABPC1 (0.47) PABPC1ALDH1A1MAPK1TSHRHSD17B10
SCHEMBL126305 0.78 PABPC1 (0.60) PABPC1ALDH1A1MAPK1TSHRHSD17B10
SCHEMBL11316014 0.76 PABPC1 (0.42) PABPC1ALDH1A1MAPK1TSHRHSD17B10
SCHEMBL11309468 0.75 PABPC1 (0.67) PABPC1ALDH1A1MAPK1TSHRHSD17B10
SCHEMBL11425344 0.75 PABPC1 (0.41) PABPC1ALDH1A1MAPK1TSHRHSD17B10
SCHEMBL11312699 0.71 PABPC1 (0.66) PABPC1ALDH1A1MAPK1TSHRHSD17B10
SCHEMBL5509576 0.71 MAPT (0.42) ALDH1A1MAPK1HSD17B10TP53MEN1
SCHEMBL5509572 0.71 MAPT (0.42) ALDH1A1MAPK1HSD17B10TP53MEN1
SCHEMBL14612968 0.70 ALDH1A1 (0.45) PABPC1ALDH1A1MAPK1TSHRHSD17B10

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 4 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

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 PABPC1 260/4885ALDH1A1 3464/4885MAPK1 2028/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT PABPC1 260/4885ALDH1A1 3464/4885MAPK1 2028/4885

“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.