SCHEMBL4555016

SCHEMBL4555016

Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3ccccc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 5/20 0.62
ALDH1A1 P00352 1/20 0.62
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 2/20 0.56
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
DDX3X O00571 1/20 0.55
LMNA P02545 3/20 0.53
ATM Q13315 1/20 0.53
NTRK1 P04629 2/20 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
SCHEMBL15866574 0.94 CXCR2 (0.69) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL13104614 0.86 MAPT (0.68) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL9479690 0.84 CASP3 (0.81) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL11648867 0.82 CA12 (0.62) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL9479683 0.82 CASP3 (0.66) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL4548128 0.82 RAB9A (0.69) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL5853268 0.81 CXCR2 (0.74) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL14442627 0.80 CXCR2 (0.77) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL25308284 0.79 RAB9A (0.56) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL4106843 0.79 RAB9A (0.56) MEN1KMT2AMAPTNPC1RAB9A

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 CXCR2 4547/4885MEN1 2936/4885KMT2A 761/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT CXCR2 4547/4885MEN1 2936/4885KMT2A 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.