Sugi Predict

Sugi Predict / Compounds / SCHEMBL2094837

SCHEMBL2094837

SCHEMBL2094837

[CH2]c1ccccc1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ AHR P35869 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ PTPRC P08575 2/20 0.32
▸ AR P10275 1/20 0.31

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
SCHEMBL2090401 0.78 AHR (0.45) ALDH1A1AHRTSHRHSD17B10S100A4
SCHEMBL29387186 0.78 CYP2A6 (0.50) PDK2ALDH1A1AHRCYP2A6TSHR
SCHEMBL4450486 0.78 CYP2A6 (0.50) PDK2ALDH1A1AHRCYP2A6TSHR
SCHEMBL2090588 0.73 CYP2A6 (0.50) ALDH1A1CYP2A6TSHRLMNAHSD17B10
SCHEMBL21620288 0.73 CYP1A2 (0.46) PDK2ALDH1A1CYP1A1CYP1A2TSHR
SCHEMBL4225498 0.73 ALDH1A1 (0.48) PDK2ALDH1A1TSHRLMNACYP3A4
SCHEMBL17503644 0.71 MEN1 (0.39) ALDH1A1CYP2A6CYP1A2TSHRLMNA
SCHEMBL2688189 0.70 CYP1A2 (0.50) ALDH1A1AHRCYP2A6CYP1A2TSHR
SCHEMBL4456481 0.70 ALDH1A1 (0.43) PDK2ALDH1A1AHRTSHR
SCHEMBL3755924 0.70 PTGS2 (0.54) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 PDK2 126/4885ALDH1A1 412/4885AHR 1050/4885

“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.