SCHEMBL4548128

SCHEMBL4548128

Cc1ccc(C)c(NC(=O)Nc2ccc(Cl)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.69
MAPT P10636 6/20 0.69
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
ALDH1A1 P00352 2/20 0.69
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
IDH1 O75874 4/20 0.59
NPC1 O15118 7/20 0.59
CNR1 P21554 1/20 0.57
HTT P42858 4/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 3/20 0.54
GRIK1 P39086 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
KCNJ6 P48051 1/20 0.53
KCNJ5 P48544 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
SCHEMBL13556601 0.91 MAPT (0.61) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6442537 0.90 MAPT (0.60) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4548043 0.88 SMN1; SMN2 (0.74) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11648867 0.85 CA12 (0.62) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL15866574 0.84 CXCR2 (0.69) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6567616 0.83 CXCR2 (0.73) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3026575 0.83 RAB9A (0.70) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25308284 0.82 RAB9A (0.56) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4555016 0.82 CXCR2 (0.62) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4106843 0.82 RAB9A (0.56) RAB9AMAPTMEN1KMT2ASMN1; SMN2

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 RAB9A 2490/4885MAPT 1631/4885MEN1 2936/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT RAB9A 2490/4885MAPT 1631/4885MEN1 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.