SCHEMBL4548244

SCHEMBL4548244

Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
KDR P35968 1/20 0.63
CA2 P00918 2/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 1/20 0.56
KCNJ6 P48051 1/20 0.54
KCNJ5 P48544 1/20 0.54
KCNJ3 P48549 1/20 0.54
KDM4E B2RXH2 1/20 0.53
EPHX2 P34913 3/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
IDH1 O75874 1/20 0.52
CA9 Q16790 2/20 0.52
EPHX1 P07099 1/20 0.51
LMNA P02545 1/20 0.51
TRPV1 Q8NER1 2/20 0.51

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
SCHEMBL4556067 0.91 KDR (0.75) SMN1; SMN2NPC1RAB9AKDRCA2
SCHEMBL4548243 0.90 KDR (0.80) SMN1; SMN2NPC1RAB9AKDRCA2
SCHEMBL30577265 0.86 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9ACA2MEN1
SCHEMBL11831657 0.85 KDR (0.62) SMN1; SMN2NPC1RAB9AKDRCA2
SCHEMBL10220062 0.85 KDR (0.88) KDRCA2EPHX2CA9EPHX1
SCHEMBL162962 0.85 KDR (0.67) SMN1; SMN2NPC1RAB9AKDRCA2
SCHEMBL11185513 0.84 KDR (0.65) SMN1; SMN2NPC1RAB9AKDRCA2
SCHEMBL5248618 0.83 KDR (0.58) SMN1; SMN2KDRCA2MEN1KMT2A
SCHEMBL28875490 0.81 KDR (0.57) SMN1; SMN2KDRMEN1KMT2AMAPT
Fluoride SCHEMBL11787921 0.81 KDR (0.57) KDRCA2MEN1KMT2AKCNJ5

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 SMN1; SMN2 850/4885NPC1 1310/4885RAB9A 2490/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT SMN1; SMN2 850/4885NPC1 1310/4885RAB9A 2490/4885

“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.