SCHEMBL5535487

SCHEMBL5535487

Clc1cc(OC2CCCCO2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
DHFR P00374 1/20 0.39
CHRNA3 P32297 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
TNK2 Q07912 2/20 0.34
MCHR1 Q99705 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 5/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL1755976 0.84 HSD11B1 (0.41) HSD11B1DHFRMEN1KMT2AKDM4C
SCHEMBL2017636 0.82 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2AKDM4C
SCHEMBL3451372 0.82 HSD11B1 (0.43) HSD11B1DHFRCHRNA3MEN1KMT2A
SCHEMBL7172082 0.82 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2AKDM4C
SCHEMBL15100422 0.82 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2AKDM4C
SCHEMBL15100425 0.82 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2AKDM4C
SCHEMBL15100525 0.81 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2AKDM4C
SCHEMBL15100397 0.81 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2AKDM4C
SCHEMBL24177158 0.80 AR (0.41) HSD11B1DHFRMEN1KMT2AKDM4C
SCHEMBL20004827 0.80 HSD11B1 (0.41) HSD11B1DHFRMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO 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

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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HSD11B1 256/4885DHFR 180/4885CHRNA3 385/4885

“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.