SCHEMBL2094908

SCHEMBL2094908

Clc1cccc(NC2CC[N]CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.48
CTSV O60911 1/20 0.45
PLAT P00750 1/20 0.45
CTSL P07711 1/20 0.45
CTSH P09668 1/20 0.45
CTSS P25774 1/20 0.45
CASP14 P31944 1/20 0.45
CTSK P43235 1/20 0.45
CASP6 P55212 1/20 0.45
CTSZ Q9UBR2 1/20 0.45
LMNA P02545 4/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL4176467 0.87 FADS1 (0.54) FADS1CTSVPLATCTSLCTSH
Hydrochloric Acid SCHEMBL16345623 0.85 FADS1 (0.53) FADS1CTSVPLATCTSLCTSH
SCHEMBL7793295 0.84 LMNA (0.58) FADS1CTSVPLATCTSLCTSH
SCHEMBL24313259 0.84 LMNA (0.54) FADS1CTSVPLATCTSLCTSH
SCHEMBL3477718 0.82 EPHX2 (0.60) FADS1CTSVPLATCTSLCTSH
SCHEMBL2095853 0.82 MEN1 (0.37) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL2098920 0.79 KDM4E (0.57) CTSLCTSSCTSKKMT2AMEN1
SCHEMBL7794546 0.79 PIM1 (0.48) FADS1CTSVPLATCTSLCTSH
SCHEMBL4139369 0.79 HTR6 (0.56) FADS1CTSVPLATCTSLCTSH
SCHEMBL2091308 0.78 POLB (0.58) LMNANPC1EPHX1RAB9ACYP2C19

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 FADS1 1431/4885CTSV 3996/4885PLAT 4769/4885

“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.