SCHEMBL7543356

SCHEMBL7543356

Cc1cc(OCc2nc3ccccc3s2)ccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
MAPT P10636 4/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
HTT P42858 1/20 1.00
SMN1; SMN2 Q16637 5/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 2/20 0.60
ALOX5 P09917 9/20 0.59
EPHX2 P34913 9/20 0.59
ALOX5AP P20292 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
F9 P00740 1/20 0.48
F10 P00742 1/20 0.48

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
SCHEMBL27452057 0.90 NPC1 (0.81) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL20103639 0.82 NPC1 (0.70) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7541252 0.81 NPC1 (0.77) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL6229791 0.81 NPC1 (0.67) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL4638323 0.80 NPC1 (0.71) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7543995 0.80 NPC1 (0.66) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7541316 0.78 ALOX5 (0.78) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7548813 0.78 NPC1 (0.64) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7547546 0.78 ALOX5 (0.74) NPC1RAB9AMAPTL3MBTL1HTT
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.77 NPC1 (1.00) NPC1RAB9AMAPTL3MBTL1HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018077898-A1 N,N'-DIARYLUREA, N,N'-DIARYLTHIOUREA AND N,N'-DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE UNIVERSITÄT INNSBRUCK (AT) 2018-05-03 WO disclosed
EP-3315495-A1 N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE Universität Innsbruck (AT) 2018-05-02 EP disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP 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 (1 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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C NPC1 4482/4885RAB9A 2177/4885MAPT 4286/4885

“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.