SCHEMBL4555366

SCHEMBL4555366

O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.70
SENP7 Q9BQF6 2/20 0.70
RAB9A P51151 12/20 0.68
KMT2A Q03164 10/20 0.68
MEN1 O00255 9/20 0.68
NPC1 O15118 9/20 0.68
MTOR P42345 2/20 0.68
MAPT P10636 5/20 0.64
HPGD P15428 1/20 0.61
GAA P10253 1/20 0.61
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TAAR1 Q96RJ0 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL4555389 0.93 KMT2A (0.72) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL30851500 0.88 RAB9A (0.79) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL27193042 0.88 RAB9A (0.79) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL7825170 0.85 RAB9A (0.71) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL24272323 0.85 MTOR (0.69) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL12010916 0.84 CASP3 (1.00) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL30051986 0.84 CASP3 (1.00) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL9479905 0.84 CASP3 (1.00) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL4113845 0.83 RAB9A (0.68) CASP3SENP7RAB9AKMT2AMEN1
SCHEMBL4454606 0.83 RAB9A (0.68) CASP3SENP7RAB9AKMT2AMEN1

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 CASP3 2943/4885SENP7 2223/4885RAB9A 2490/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT CASP3 2943/4885SENP7 2223/4885RAB9A 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.