SCHEMBL1187384

SCHEMBL1187384

O=CNc1cc(F)c(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
EGFR P00533 1/20 0.37
EGLN2 Q96KS0 1/20 0.33
LMNA P02545 1/20 0.31
MPO P05164 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL11919002 0.80 ALDH1A1 (0.32) ALDH1A1RAPGEF4EGFR
SCHEMBL1588979 0.78 ALDH1A1 (0.55) ALDH1A1LMNA
SCHEMBL429152 0.77 ALDH1A1 (0.44) ALDH1A1RAPGEF4CES2CES1EGFR
SCHEMBL241795 0.76 RAB9A (0.46) ALDH1A1RAPGEF4CES2CES1LMNA
SCHEMBL21844916 0.75 RAPGEF4 (0.38) RAPGEF4CES2CES1EGFR
SCHEMBL27691414 0.73 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL2324287 0.72 KMT2A (0.46) ALDH1A1LMNA
SCHEMBL6783917 0.72 RAPGEF4 (0.46) ALDH1A1RAPGEF4
SCHEMBL18844096 0.72 ALDH1A1 (0.40) ALDH1A1LMNAMPO
SCHEMBL13704093 0.72 KDM5A (0.41) ALDH1A1EGFRLMNAMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087422-A9 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2022-06-09 WO disclosed
WO-2022087422-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2022-04-28 WO disclosed
US-8735425-B2 Tetrahydroisoquinoline derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-27 US disclosed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
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
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 EP 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 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
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885RAPGEF4 4025/4885CES2 3025/4885
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DGAT1, DGAT2, DLAT ALDH1A1 789/4885RAPGEF4 1371/4885CES2 345/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885RAPGEF4 4155/4885CES2 2243/4885

“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.