SCHEMBL9940255

SCHEMBL9940255

FC(F)(F)c1cn(Cc2ccccc2)c(-c2ccc(Br)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
DGAT1 O75907 2/20 0.42
BRD4 O60885 3/20 0.42
SDHB P21912 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GALR3 O60755 1/20 0.39
NPY1R P25929 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL7469586 0.90 PTGS2 (0.46) NR1H3GAAALDH1A1KDM4ELMNA
SCHEMBL10177495 0.86 SDHB (0.42) DGAT1BRD4SDHBUSP1PTGS2
SCHEMBL16660862 0.86 DGAT1 (0.58) DGAT1BRD4SDHBUSP1PTGS2
SCHEMBL13100054 0.82 PTGS2 (0.61) SDHBPTGS2PTGS1
SCHEMBL24185774 0.81 DGAT1 (0.49) NR1H2NR1H3ALDH1A1KDM4EDGAT1
SCHEMBL24185626 0.80 DGAT1 (0.45) ALDH1A1KDM4EDGAT1PTGS2PTGS1
SCHEMBL29194233 0.78 DRD2 (0.47) ALDH1A1DGAT1SDHBMEN1KMT2A
SCHEMBL24185640 0.78 DGAT1 (0.46) ALDH1A1KDM4EDGAT1PTGS2PTGS1
SCHEMBL24185707 0.78 DGAT1 (0.52) NR1H2NR1H3ALDH1A1KDM4EDGAT1
SCHEMBL13099659 0.77 PTGS2 (0.60) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
EP-2651915-B1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-25 EP disclosed
EP-2651915-B1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-25 EP disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
CN-103261185-B Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORP 2014-12-10 CN disclosed
EP-2651915-A1 CONTINUOUS ARYCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-23 EP disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
CN-103261185-A Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORP 2013-08-21 CN disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 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 (2 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-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 NR1H2 104/4885NR1H3 131/4885GAA 715/4885
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 NR1H2 104/4885NR1H3 131/4885GAA 715/4885

“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.