SCHEMBL2681024

SCHEMBL2681024

O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 1.00
RAB9A P51151 11/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
TDP1 Q9NUW8 1/20 1.00
KDM4E B2RXH2 2/20 0.67
MAPT P10636 2/20 0.67
GAA P10253 1/20 0.67
DEGS1 O15121 1/20 0.60
CASP3 P42574 3/20 0.60
SENP7 Q9BQF6 3/20 0.60
SENP6 Q9GZR1 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SENP8 Q96LD8 1/20 0.60
F10 P00742 1/20 0.60
NQO2 P16083 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAP4K4 O95819 2/20 0.58

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
SCHEMBL3503370 0.92 NPC1 (0.84) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL26885202 0.87 NPC1 (0.77) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2229842 0.86 NPC1 (0.76) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8081011 0.85 DEGS1 (0.82) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL3660083 0.85 NPC1 (0.74) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL7964170 0.84 RAB9A (0.73) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL12218426 0.84 NPC1 (0.73) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8420152 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2230642 0.84 NPC1 (0.77) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL11057371 0.83 NPC1 (0.77) NPC1RAB9AMEN1KMT2ATDP1

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 5 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-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 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 (3 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 NPC1 1310/4885RAB9A 2490/4885MEN1 2936/4885
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 NPC1 496/4885RAB9A 2725/4885MEN1 2102/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT NPC1 1310/4885RAB9A 2490/4885MEN1 2936/4885

“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.