SCHEMBL4555009

SCHEMBL4555009

COc1cc(OC)c(NC(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
IDH1 O75874 1/20 0.57
CHRNA7 P36544 1/20 0.56
CHEK1 O14757 1/20 0.55
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.54
NTRK1 P04629 2/20 0.53
NTRK2 Q16620 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL18025321 0.89 MAPT (0.76) MAPTMEN1KMT2AIDH1CHRNA7
SCHEMBL6816388 0.88 MAPT (0.74) MAPTMEN1KMT2AIDH1CHRNA7
SCHEMBL7939055 0.86 MAPT (0.70) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4555949 0.85 MAPT (0.70) MAPTMEN1KMT2AIDH1CHRNA7
SCHEMBL6816373 0.85 MAPT (0.74) MAPTMEN1KMT2AIDH1CHRNA7
SCHEMBL20016689 0.85 MAPT (0.66) MAPTMEN1KMT2AIDH1CHRNA7
SCHEMBL4553812 0.83 KMT2A (0.67) MAPTMEN1KMT2AIDH1ALDH1A1
SCHEMBL6812047 0.82 MAPT (0.67) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7939058 0.81 KMT2A (0.52) MAPTMEN1KMT2AALDH1A1PKM
SCHEMBL6811241 0.81 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1KDM4E

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 1631/4885MEN1 2936/4885KMT2A 761/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MAPT 1631/4885MEN1 2936/4885KMT2A 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.