SCHEMBL2366749

SCHEMBL2366749

O=[C]c1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
ACACB O00763 1/20 0.38
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PYCR1 P32322 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1B1 P15121 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
S100A4 P26447 1/20 0.33

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
SCHEMBL27214759 0.81 ACACB (0.46) DGAT1ACACBKDM1AKDM1BNPC1
SCHEMBL11508298 0.78 HSP90AA1 (0.37) ALDH1A1HSP90AA1TLR9S100A4
SCHEMBL14661873 0.77 DGAT1 (0.39) DGAT1ACACBKDM1AKDM1BNPC1
SCHEMBL56634 0.77 TRPV4 (0.57) CYP11B1CYP11B2TRPV4
SCHEMBL29658059 0.77 PYCR1 (0.42) DGAT1ACACBKDM1AKDM1BNPC1
SCHEMBL3433348 0.77 PYCR1 (0.42) DGAT1ACACBKDM1AKDM1BNPC1
SCHEMBL96914 0.76 CES2 (0.43) ALDH1A1CYP11B1CYP11B2TRPV4
SCHEMBL1801733 0.76 HSP90AA1 (0.46) ALDH1A1LMNASMN1; SMN2PYCR1MAPT
SCHEMBL9328431 0.73 KDM4E (0.41) DGAT1ALDH1A1MAPTKMT2AHSP90AA1
SCHEMBL21201424 0.73 NFE2L2 (0.36) ALDH1A1SMN1; SMN2CYP11B1CYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN disclosed
WO-2023208172-A1 SUBSTITUTED 7- (PYRIMIDIN-4-YL) QUINOLIN-4 (1H) -ONE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS BEIGENE , LTD. (KY) 2023-11-02 WO disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 EP 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
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1989115-A * azole derivatives as histamine H3 receptor agents, their preparation and therapeutic use LILLY CO ELI (US) 2007-06-27 CN 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
WO-1999038993-A1 COMBINATORIAL QUINOLONE LIBRARY PHARMACOPEIA, INC. (US) 1999-08-05 WO 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 DGAT1 1453/4885ACACB 1653/4885KDM1A 4622/4885

“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.