SCHEMBL2096199

SCHEMBL2096199

[O]c1cccc2nc(N3CCC(Nc4ccc(F)cc4)CC3)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
HRH1 P35367 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
SCD O00767 2/20 0.38
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
NAAA Q02083 1/20 0.37
MLNR O43193 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL2095474 0.85 RAB9A (0.38) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL2093094 0.79 NPC1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL2091744 0.79 SCD (0.49) NPC1RAB9AMAPTSCD
SCHEMBL2095589 0.79 SCD (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL2094618 0.78 MAPT (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL2095127 0.78 TP53 (0.53) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL2096152 0.77 SCD (0.44) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL2096689 0.74 CYP2D6 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL2097196 0.71 KDM4E (0.46) SMN1; SMN2ALDH1A1ALOX15NPC1RAB9A
SCHEMBL2095541 0.71 MAPT (0.41) SMN1; SMN2NPC1RAB9AMAPTTP53

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 SMN1; SMN2 3787/4885ALDH1A1 412/4885ALOX15 2776/4885

“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.