SCHEMBL4555510

SCHEMBL4555510

CN(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 8/20 0.56
CNR1 P21554 1/20 0.56
MEN1 O00255 6/20 0.56
MAPT P10636 5/20 0.56
HTT P42858 4/20 0.56
POLB P06746 3/20 0.56
DDX3X O00571 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
P2RX1 P51575 1/20 0.55
IDH1 O75874 1/20 0.52
BLM P54132 1/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL11061703 0.81 SMN1; SMN2 (0.69) BAZ1ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7617456 0.80 SMN1; SMN2 (0.68) BAZ1ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL22092548 0.79 CNR1 (0.85) BAZ1ASMN1; SMN2KMT2ACNR1MEN1
SCHEMBL29494979 0.79 CNR1 (0.85) BAZ1ASMN1; SMN2KMT2ACNR1MEN1
SCHEMBL1336235 0.78 MEN1 (0.74) SMN1; SMN2KMT2ACNR1MEN1MAPT
SCHEMBL19707227 0.76 TSHR (0.70) SMN1; SMN2KMT2ACNR1MEN1MAPT
SCHEMBL3175290 0.76 KMT2A (0.66) BAZ1ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11331064 0.74 MEN1 (0.58) SMN1; SMN2KMT2ACNR1MEN1MAPT
SCHEMBL22092648 0.74 MAPT (0.82) BAZ1ASMN1; SMN2KMT2ACNR1MEN1
SCHEMBL28429878 0.74 MEN1 (0.60) SMN1; SMN2KMT2AMEN1MAPTHTT

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 BAZ1A 3502/4885SMN1; SMN2 850/4885KMT2A 761/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT BAZ1A 3502/4885SMN1; SMN2 850/4885KMT2A 761/4885

“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.