SCHEMBL4555003

SCHEMBL4555003

S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.78
MAPT P10636 10/20 0.76
ALDH1A1 P00352 7/20 0.76
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
LMNA P02545 5/20 0.76
GAA P10253 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.69
NPSR1 Q6W5P4 3/20 0.68
HTT P42858 3/20 0.68
L3MBTL1 Q9Y468 1/20 0.65
EPHX1 P07099 1/20 0.63
EPHX2 P34913 1/20 0.63
ALOX12 P18054 2/20 0.62
HPGD P15428 2/20 0.59
THRB P10828 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL4555049 0.92 MEN1 (0.68) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL5450586 0.90 ALDH1A1 (0.71) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL6815897 0.89 IDO1 (0.69) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL10660750 0.88 IDO1 (0.68) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL5988806 0.88 IDO1 (1.00) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL16566494 0.87 ALDH1A1 (0.71) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL6815301 0.86 ALDH1A1 (0.65) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL7308178 0.84 IDO1 (0.63) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL24168983 0.84 MAPT (0.68) IDO1MAPTALDH1A1MEN1KMT2A
SCHEMBL14120022 0.84 MAPT (0.62) IDO1MAPTALDH1A1MEN1KMT2A

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 5 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
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 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 IDO1 3237/4885MAPT 1631/4885ALDH1A1 3464/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT IDO1 3237/4885MAPT 1631/4885ALDH1A1 3464/4885

“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.