SCHEMBL4554988

SCHEMBL4554988

CC(=O)Nc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
RAB9A P51151 3/20 0.69
MEN1 O00255 3/20 0.69
NPC1 O15118 2/20 0.69
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
THRB P10828 1/20 0.69
NOX1 Q9Y5S8 1/20 0.69
TAAR1 Q96RJ0 1/20 0.60
HTT P42858 2/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
POLB P06746 2/20 0.56
MAPK1 P28482 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
DDX3X O00571 6/20 0.54
LMNA P02545 1/20 0.53
DGAT1 O75907 1/20 0.53
NTRK1 P04629 1/20 0.53
NTRK2 Q16620 1/20 0.53

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
SCHEMBL13193500 0.88 ALDH1A1 (0.69) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL7759976 0.87 MEN1 (0.68) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL30136232 0.85 POLB (0.58) KMT2ARAB9AMEN1KDM4EALDH1A1
SCHEMBL1395802 0.85 POLB (0.58) KMT2ARAB9AMEN1KDM4EALDH1A1
Chloromethane SCHEMBL10795405 0.84 POLB (0.56) KMT2ARAB9AMEN1KDM4EALDH1A1
SCHEMBL7877742 0.84 MEN1 (0.64) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL5149988 0.80 MEN1 (0.63) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL674596 0.80 CA1 (0.79) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL22103682 0.79 ALDH1A1 (0.66) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL5074250 0.79 MEN1 (0.65) KMT2ARAB9AMEN1NPC1KDM4E

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 KMT2A 761/4885RAB9A 2490/4885MEN1 2936/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT KMT2A 761/4885RAB9A 2490/4885MEN1 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.