SCHEMBL4556022

SCHEMBL4556022

COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(OC)n1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.83
KMT2A Q03164 5/20 0.76
ALDH1A1 P00352 3/20 0.76
HTT P42858 2/20 0.76
AKT1 P31749 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
POLB P06746 4/20 0.69
GFER P55789 1/20 0.69
TP53 P04637 2/20 0.68
THRB P10828 1/20 0.65
TSHR P16473 1/20 0.65
LMNA P02545 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALOX12 P18054 1/20 0.64
CYP3A4 P08684 1/20 0.63
HTR6 P50406 1/20 0.63
MEN1 O00255 1/20 0.62
CHIA Q9BZP6 1/20 0.62

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
SCHEMBL13453546 0.85 KMT2A (0.85) P2RY1KMT2AALDH1A1HTTAKT1
SCHEMBL328334 0.83 ALOX12 (0.81) P2RY1KMT2AALDH1A1HTTAKT1
SCHEMBL10031613 0.83 ALDH1A1 (0.80) P2RY1KMT2AALDH1A1HTTAKT1
SCHEMBL13453485 0.81 KMT2A (0.80) P2RY1KMT2AALDH1A1HTTAKT1
SCHEMBL13453548 0.81 MEN1 (0.71) P2RY1KMT2AALDH1A1HTTPOLB
SCHEMBL24274737 0.81 KMT2A (1.00) KMT2AALDH1A1HTTAKT1SMN1; SMN2
SCHEMBL13453526 0.79 KMT2A (0.82) P2RY1KMT2AALDH1A1HTTAKT1
SCHEMBL328330 0.79 ALDH1A1 (0.74) P2RY1KMT2AALDH1A1HTTAKT1
SCHEMBL7824834 0.79 ALDH1A1 (0.78) P2RY1KMT2AALDH1A1HTTAKT1
SCHEMBL328331 0.79 AKT1 (1.00) P2RY1KMT2AALDH1A1HTTAKT1

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 P2RY1 3079/4885KMT2A 761/4885ALDH1A1 3464/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT P2RY1 3079/4885KMT2A 761/4885ALDH1A1 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.