SCHEMBL15061690

SCHEMBL15061690

CCOCCn1c(C=O)nc2cc(C(F)(F)F)c(-c3ccc(F)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK14 Q16539 1/20 0.34
HSP90AA1 P07900 2/20 0.34
BRD4 O60885 2/20 0.33
NR3C1 P04150 4/20 0.33
AR P10275 4/20 0.33
PGR P06401 2/20 0.33
HDAC11 Q96DB2 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15060784 0.88 PDE5A (0.37) PDE5AALDH1A1KDM4EHSD17B10MAPK14
SCHEMBL12210495 0.87 KDM4E (0.38) PDE5AALDH1A1KDM4EHSD17B10MAPK14
SCHEMBL13273928 0.86 HSP90AA1 (0.37) PDE5AALDH1A1KDM4EHSD17B10MAPK14
SCHEMBL18404505 0.80 POLB (0.35) PDE5AALDH1A1KDM4EMAPK14HSP90AA1
SCHEMBL2489329 0.77 HDAC8 (0.38) ALDH1A1L3MBTL1HDAC11MEN1KMT2A
SCHEMBL2489326 0.77 SCN9A (0.39) ALDH1A1L3MBTL1HDAC11
SCHEMBL13273917 0.76 PPARG (0.41) PDE5AALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL12210252 0.76 KDM4E (0.35) PDE5AALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL15060795 0.74 MTNR1A (0.34) PDE5AKDM4EHSD17B10HSP90AA1MEN1
SCHEMBL15060788 0.74 KDM4E (0.37) PDE5AALDH1A1KDM4EHSD17B10MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 US 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-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 PDE5A 1986/4885ALDH1A1 1411/4885L3MBTL1 183/4885
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 PDE5A 1986/4885ALDH1A1 1411/4885L3MBTL1 183/4885

“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.