SCHEMBL3148079

SCHEMBL3148079

O=Cc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C9 P11712 2/20 0.41
SCN5A Q14524 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR3 P46089 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC6A2 P23975 1/20 0.41
SCN4A P35499 1/20 0.41

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
SCHEMBL24512582 0.90 TDP1 (0.44) TDP1ALDH1A1SCN9ATRIM24TYR
SCHEMBL6201722 0.86 FFAR4 (0.41) TDP1NPC1RAB9ACYP2C9SCN5A
SCHEMBL2096380 0.81 FFAR4 (0.39) NPC1RAB9ACYP2C9SCN5AGPR3
SCHEMBL2095789 0.81 GPR3 (0.40) NPC1RAB9ACYP2C9SCN5AGPR3
SCHEMBL2095791 0.81 GPR3 (0.40) NPC1RAB9ACYP2C9SCN5AGPR3
SCHEMBL2366445 0.80 PDE2A (0.44) NPC1RAB9ACYP2C9SCN5AALDH1A1
SCHEMBL2090849 0.79 FFAR4 (0.40) NPC1RAB9ACYP2C9SCN5AGPR3
SCHEMBL2090848 0.79 FFAR4 (0.40) NPC1RAB9ACYP2C9SCN5AGPR3
SCHEMBL14354372 0.79 TYR (0.61) NPC1RAB9ACYP2C9SCN5AGPR3
SCHEMBL21339745 0.79 NPC1 (0.47) NPC1RAB9ACYP2C9SCN5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186045-A Isobenzofuran-1 (3H) -ketone TREK-1 inhibitor, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-12-08 CN disclosed
US-8420810-B2 Bicyclic heterocyclic compound Ono Pharmaceutical, Co., Ltd. (JP) 2013-04-16 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
US-20100137318-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2154139-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2010-02-17 EP 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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TDP1 4666/4885NPC1 2404/4885RAB9A 2824/4885
US-20100137318-A1 BICYCLIC HETEROCYCLIC COMPOUND CRH, CRHR1, NR3C2 TDP1 2485/4885NPC1 308/4885RAB9A 1232/4885

“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.