SCHEMBL4548183

SCHEMBL4548183

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC2

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.69
NPC1 O15118 12/20 0.69
CASP3 P42574 2/20 0.69
SENP7 Q9BQF6 2/20 0.69
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
MAPT P10636 2/20 0.65
HTT P42858 2/20 0.65
POLB P06746 3/20 0.60
ALDH1A1 P00352 1/20 0.59
EPHX2 P34913 1/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL13355321 0.87 NPC1 (0.71) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL5597699 0.84 KMT2A (0.90) RAB9AKMT2AMEN1MAPTHTT
SCHEMBL30101230 0.84 KMT2A (0.90) RAB9AKMT2AMEN1MAPTHTT
SCHEMBL8118160 0.83 KMT2A (0.56) RAB9ANPC1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL1188139 0.83 ASIC3 (0.57) RAB9AKMT2AMEN1MAPTHTT
SCHEMBL4548162 0.82 KMT2A (0.87) RAB9AKMT2AMEN1MAPTHTT
SCHEMBL4111143 0.82 NPC1 (1.00) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL4115937 0.81 NPC1 (1.00) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL31054230 0.81 NPC1 (1.00) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL17664317 0.79 KMT2A (0.81) RAB9AKMT2AMEN1MAPTHTT

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 2490/4885NPC1 1310/4885CASP3 2943/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT RAB9A 2490/4885NPC1 1310/4885CASP3 2943/4885

“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.