SCHEMBL4555442

SCHEMBL4555442

O=C(Nc1cccc(Cl)c1)Nc1ccc2nnsc2c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
ALDH1A1 P00352 3/20 0.76
POLB P06746 3/20 0.76
BAZ1A Q9NRL2 4/20 0.72
NSD2 O96028 3/20 0.68
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
LMNA P02545 3/20 0.60
HTT P42858 3/20 0.60
TP53 P04637 3/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PRMT3 O60678 3/20 0.57
EHMT2 Q96KQ7 1/20 0.57
SUV39H2 Q9H5I1 1/20 0.57
EHMT1 Q9H9B1 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
SCHEMBL10220670 0.86 MAPT (1.00) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL4555048 0.84 BAZ1A (1.00) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL29445220 0.84 BAZ1A (1.00) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL21488884 0.81 MAPT (0.70) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL30874277 0.80 MAPT (0.82) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL29191416 0.80 MAPT (0.82) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL20812656 0.79 ALDH1A1 (0.72) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL21488734 0.78 BAZ1A (0.60) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL2682054 0.78 KMT2A (1.00) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL21488530 0.78 BAZ1A (0.73) MAPTNPC1RAB9AALDH1A1POLB

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 1310/4885RAB9A 2490/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MAPT 1631/4885NPC1 1310/4885RAB9A 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.