SCHEMBL18194732

SCHEMBL18194732

CC(=O)c1sc(C(C)(C)C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.43
RAF1 P04049 12/20 0.40
MAPK14 Q16539 6/20 0.38
TSHR P16473 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25544953 0.84 NPSR1 (0.42) RXFP1NPSR1KMT2ARAF1MAPK14
SCHEMBL161668 0.79 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14189999 0.78 RXFP1 (0.49) RXFP1NPSR1KMT2ALMNARAF1
SCHEMBL102004 0.74 ALDH1A1 (0.40) RXFP1NPSR1KMT2ALMNAKDM4E
SCHEMBL10861484 0.71 MAPT (0.40) RXFP1NPSR1KMT2AKDM4EALDH1A1
SCHEMBL5860697 0.71 GSK3B (0.42) RXFP1KMT2ALMNAKDM4EALDH1A1
SCHEMBL14029320 0.71 KDM4E (0.38) RXFP1NPSR1KMT2ALMNAKDM4E
SCHEMBL14029306 0.71 KDM4E (0.45) RXFP1KMT2ALMNAMAPK14KDM4E
SCHEMBL26241657 0.71 ALDH1A1 (0.38) RXFP1KMT2ALMNAKDM4EALDH1A1
SCHEMBL20091297 0.71 KMT2A (0.33) RXFP1NPSR1KMT2ALMNARAF1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 RXFP1 4782/4885NPSR1 2497/4885KMT2A 761/4885

“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.