SCHEMBL4554056

SCHEMBL4554056

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
NPC1 O15118 3/20 0.61
NFKB1 P19838 3/20 0.61
RAB9A P51151 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TP53 P04637 3/20 0.61
PKM P14618 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
LMNA P02545 2/20 0.59
NAMPT P43490 1/20 0.59
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAOB P27338 1/20 0.57
POLB P06746 2/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL28367602 0.92 NPC1 (0.72) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL20016692 0.89 P2RX1 (0.70) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL23419097 0.85 MAPT (0.72) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL18025319 0.82 P2RX1 (0.59) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL4870684 0.82 MAPT (0.67) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL10220710 0.82 MEN1 (0.60) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL4867471 0.81 TP53 (0.81) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL4870713 0.81 HTR2C (0.53) MAPTP2RX1
SCHEMBL4865198 0.81 MAPT (0.70) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL4863076 0.81 MAPT (0.69) MAPTNPC1NFKB1RAB9ANFKB2

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 MAPT 1631/4885NPC1 1310/4885NFKB1 644/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MAPT 1631/4885NPC1 1310/4885NFKB1 644/4885

“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.