SCHEMBL5544752

SCHEMBL5544752

CC(=O)Nc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP2C9 P11712 2/20 0.56
CES2 O00748 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
CYP2D6 P10635 2/20 0.49
KIF11 P52732 1/20 0.49
RAB9A P51151 1/20 0.49
TOP2A P11388 2/20 0.48
CYP3A4 P08684 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DYRK1A Q13627 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN5 P54829 1/20 0.47
AKR1C3 P42330 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL6063344 0.84 CYP1A2 (0.57) CYP1A2CYP2C19CYP2C9ALDH1A1RXFP1
SCHEMBL31245754 0.84 CYP1A2 (0.57) CYP1A2CYP2C19CYP2C9ALDH1A1RXFP1
SCHEMBL2096162 0.83 MAPT (0.51) CYP1A2CYP2C19CYP2C9CES2CYP2D6
SCHEMBL13483657 0.83 MAPT (0.55) CYP1A2CYP2C19CYP2C9ALDH1A1CYP2D6
SCHEMBL30603334 0.83 SMN1; SMN2 (0.46) CYP1A2CYP2C19CYP2C9ALDH1A1CYP2D6
SCHEMBL2766810 0.83 KCNJ11 (0.48) CYP1A2CYP2C19CYP2C9ALDH1A1RXFP1
SCHEMBL9185909 0.83 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9ALDH1A1RXFP1
SCHEMBL4796235 0.83 KIF11 (0.59) CYP1A2CYP2C19CES2ALDH1A1CYP2D6
SCHEMBL9807561 0.83 MAP2K1 (0.54) ALDH1A1RXFP1KIF11
SCHEMBL31434967 0.83 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9ALDH1A1RXFP1

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
WO-2015168368-A1 FLUOROALKYLATION REAGENTS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-05 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US 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

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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP1A2 659/4885CYP2C19 2521/4885CYP2C9 2351/4885

“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.