SCHEMBL2095077

SCHEMBL2095077

O=C(O)Nc1c(F)cccc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 3/20 0.60
NLRP3 Q96P20 1/20 0.50
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALB P02768 1/20 0.43
PDE4D Q08499 1/20 0.42

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
SCHEMBL16176784 0.87 KMT2A (0.50) KMT2AALDH1A1NLRP3CES2CES1
SCHEMBL23043120 0.86 KMT2A (0.49) KMT2AALDH1A1NLRP3CES2CES1
SCHEMBL2338360 0.86 PTGS2 (0.50) KMT2AALDH1A1NLRP3CES2CES1
SCHEMBL4726032 0.86 HDAC1 (0.56) KMT2AALDH1A1NLRP3CA12CA1
SCHEMBL20475214 0.84 RAB9A (0.51) KMT2AALDH1A1NLRP3MEN1RAB9A
SCHEMBL18415481 0.83 KMT2A (0.59) KMT2AALDH1A1NLRP3CES2CES1
SCHEMBL2975410 0.82 ERN1 (0.52) KMT2AALDH1A1NLRP3CES2CES1
SCHEMBL4726106 0.82 SMN1; SMN2 (0.46) KMT2AALDH1A1NLRP3MEN1SMN1; SMN2
SCHEMBL3911337 0.82 HTT (0.51) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL22390700 0.82 KMT2A (0.58) KMT2AALDH1A1NLRP3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553107-B1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARM INC (US) 1999-09-29 EP claimed
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-2396302-A2 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) Vertex Pharmceuticals Incorporated (US) 2011-12-21 EP disclosed
WO-2010093890-A2 PROCESSES FOR PRODUCING PHENYL-6-(1-(PHENYL)UREIDO)NICOTINAMIDES) VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 WO 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 KMT2A 3324/4885ALDH1A1 412/4885NLRP3 1659/4885

“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.