SCHEMBL2680883

SCHEMBL2680883

Cc1ccc2nc(-c3ccccc3)c(N=O)n2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NR1H4 Q96RI1 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
TP53 P04637 1/20 0.46
HCRTR1 O43613 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL18136532 0.80 NR1H4 (0.59) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL3791465 0.78 NPC1 (0.58) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL3668311 0.78 CGAS (0.57) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL32688225 0.78 HPGD (0.55) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL15730474 0.77 NR1H4 (0.57) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL7820531 0.77 NPC1 (0.72) HPGDKDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL18128846 0.76 NR1H4 (0.56) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL13325766 0.76 AKT1 (0.69) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL18134465 0.75 NR1H4 (0.54) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL7977337 0.71 TOP2A (0.69) HPGDKDM4EALDH1A1TSHRHSD17B10

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 HPGD 1642/4885KDM4E 1117/4885ALDH1A1 3464/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT HPGD 1642/4885KDM4E 1117/4885ALDH1A1 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.