SCHEMBL5545129

SCHEMBL5545129

Clc1ccc(-c2[c]occ2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.38
CYP1A2 P05177 2/20 0.37
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.34
AHR P35869 2/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
KDM4E B2RXH2 3/20 0.31
TP53 P04637 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL11456086 0.77 ESR1 (0.43) LMNANPC1RAB9AKDM4ETP53
SCHEMBL5543123 0.77 ALDH1A1 (0.37) CYP2A6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5535944 0.77 NPC1 (0.37) NOTUMLMNATDO2NPC1RAB9A
SCHEMBL4702413 0.75 NPC1 (0.41) NOTUMCYP1A2IDO1TDO2NPC1
SCHEMBL5348133 0.74
SCHEMBL5537893 0.74 AHR (0.40) AHRHSD17B10ALDH1A1HPGD
SCHEMBL8096908 0.73 MAPT (0.43) NOTUMCYP1A2LMNANPC1RAB9A
SCHEMBL5538900 0.72 KIF11 (0.43) NOTUMTSHRALDH1A1
SCHEMBL5543808 0.72 NOTUM (0.35) NOTUM
SCHEMBL11228525 0.72 ALDH1A1 (0.44) NOTUMLMNAKDM4ETP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8846949-B2 Pyrrolopyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-09-30 US disclosed
US-20140051688-A1 PYRROLOPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-02-20 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-4946493-A FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-07 US disclosed
US-4845250-A FUNGICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-04 US disclosed
US-4833143-A PHENYL CYCLOBUTYL HETEROCYCLIC AMINES AND AMIDES THE BOOTS COMPANY PLC (GB) 1989-05-23 US disclosed
US-4507140-A GALLIUM ARSENIDE DOPED WITH GERMANIUM AND TELLURIUM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-26 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-20140051688-A1 PYRROLOPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1A, CACNA1B, CACNA1E NOTUM 4256/4885CYP1A2 1227/4885LMNA 1388/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOTUM 3827/4885CYP1A2 659/4885LMNA 4152/4885

“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.