SCHEMBL2094451

SCHEMBL2094451

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
BRD4 O60885 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
XDH P47989 1/20 0.46
KDM1A O60341 1/20 0.46
IKBKB O14920 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIN1 Q13526 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
SCHEMBL2094449 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1451665 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2309205 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1198943 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16399262 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16398991 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1199289 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1198342 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1199183 0.80 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL979633 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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 ALDH1A1 412/4885SMN1; SMN2 3787/4885MAPT 4299/4885

“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.