SCHEMBL1409490

SCHEMBL1409490

N#CCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
PRMT1 Q99873 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SLC9A1 P19634 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL1410512 0.79 HIF1A (0.41) HIF1AEPAS1PRMT1SIGMAR1CACNA1G
SCHEMBL1409759 0.79 HIF1A (0.56) HIF1AEPAS1PRMT1SIGMAR1CACNA1G
SCHEMBL1410515 0.74 RXRA (0.55) HIF1AEPAS1KDM4EALDH1A1SLC9A1
SCHEMBL22587997 0.71 SLC6A4 (0.33) KIF11
SCHEMBL7594667 0.70 RXRA (0.54) KIF11NAAA
SCHEMBL14363100 0.69 RXRA (0.39) HIF1AEPAS1PRMT1GAAMAPK1
SCHEMBL11345316 0.69 CYP2D6 (0.44) KDM4EALDH1A1CYP2C19MAPT
SCHEMBL14300672 0.69 RXRA (0.43) HIF1AEPAS1KDM4EALDH1A1SLC9A1
SCHEMBL3672942 0.69 KDM4E (0.32) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL18005529 0.68 GAA (0.38) HIF1AEPAS1GAAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L HIF1A 2646/4885EPAS1 3823/4885PRMT1 994/4885

“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.