SCHEMBL5539798

SCHEMBL5539798

CNCCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.58
HTR1D P28221 1/20 0.58
CACNA1B Q00975 1/20 0.55
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MTOR P42345 2/20 0.50
RAB9A P51151 2/20 0.50
CYP3A4 P08684 2/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
TP53 P04637 1/20 0.50

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
Hydrochloric Acid SCHEMBL27174649 0.98 HTR1B (0.56) HTR1BHTR1DCACNA1BMEN1KMT2A
SCHEMBL18294053 0.83 HTR1B (0.60) HTR1BHTR1DMEN1KMT2ALMNA
SCHEMBL5535001 0.81 HTR1B (0.58) HTR1BHTR1DMEN1KMT2ALMNA
SCHEMBL1760893 0.80 L3MBTL1 (0.58) HTR1BHTR1DLMNAALDH1A1KDM4E
SCHEMBL12409185 0.79 CHRNB2 (0.54) CYP2D6CYP3A4CHRNB2CHRNB4CHRNA3
SCHEMBL5835871 0.79 HTR1B (0.64) HTR1BHTR1DCACNA1BLMNAALDH1A1
SCHEMBL12016106 0.79 CYP1A1 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17300728 0.78 KMT2A (0.61) HTR1BHTR1DMEN1KMT2ALMNA
SCHEMBL5535050 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11932740 0.77 DRD2 (0.46) CACNA1BALDH1A1CYP2D6CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2002081444-A1 1-INDOLYL DERIVATIVES, USE THEREOF FOR PRODUCTION OF MEDICAMENTS, A METHOD FOR PRODUCTION OF SAID 1-INDOLYL DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING 1-INDOLYL DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-17 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 HTR1B 3275/4885HTR1D 3378/4885CACNA1B 2525/4885

“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.