SCHEMBL5545804

SCHEMBL5545804

Clc1cc(Cl)c(-c2ccc[c]n2)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AR P10275 1/20 0.32
AHR P35869 3/20 0.31
CBFB Q13951 1/20 0.31
CHUK O15111 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2751631 0.86 CYP1A2 (0.37) TSHR
SCHEMBL2753229 0.80 ADORA2A (0.36) CCR1CCR5CCR8TSHR
SCHEMBL2751743 0.79 HSP90AA1 (0.44) ALDH1A1AHRTSHRHSD17B10TP53
SCHEMBL2749305 0.76 IDO1 (0.45) ALDH1A1TSHRHSD17B10TP53
SCHEMBL12614991 0.73 CYP1A2 (0.39) ALDH1A1
SCHEMBL2752724 0.73 AHR (0.46) ALDH1A1AHRTP53
SCHEMBL5535520 0.73 KMO (0.42)
SCHEMBL6092210 0.72 IDO1 (0.44) ALDH1A1TSHRTP53
SCHEMBL2752656 0.69 ALOX5AP (0.32)
SCHEMBL2751236 0.69 AHR (0.32) AHR

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN 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-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 (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 CCR1 564/4885CCR5 551/4885CCR8 1018/4885

“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.