SCHEMBL2681671

SCHEMBL2681671

CN(C)c1ccc(N=Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ TSHR P16473 4/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ KMT2A Q03164 6/20 0.56
▸ NPC1 O15118 6/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ NSD2 O96028 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CA12 O43570 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47

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
SCHEMBL15682380 0.85 NPC1 (0.57) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL9308336 0.85 MAPK1 (0.53) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL9308341 0.85 MAPK1 (0.53) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL9308347 0.85 MAPK1 (0.53) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10823844 0.84 PTGS1 (0.55) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10788334 0.84 PTGS1 (0.55) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10823843 0.84 PTGS1 (0.55) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL1405467 0.81 ALDH1A1 (0.81) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL3217829 0.81 ALDH1A1 (0.81) MAPK1ALDH1A1TSHRTDP1HSD17B10
SCHEMBL3217836 0.81 ALDH1A1 (0.81) MAPK1ALDH1A1TSHRTDP1HSD17B10

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 MAPK1 2028/4885ALDH1A1 3464/4885TSHR 4506/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MAPK1 2028/4885ALDH1A1 3464/4885TSHR 4506/4885

“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.

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