SCHEMBL15767331

SCHEMBL15767331

CCOC(=O)c1nc2cc(F)ccn2c1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 3/20 0.42
ELANE P08246 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
MAPK1 P28482 1/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9966053 0.85 PDE4A (0.53) PDE4AKDM4EALDH1A1PTGS1PTGS2
SCHEMBL19711960 0.84 PDE4A (0.50) PDE4AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL24616744 0.81 PDE4A (0.54) PDE4AKDM4EALDH1A1SMN1; SMN2PTGS1
SCHEMBL2447965 0.80 PTGS1 (0.65) PDE4AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL16447607 0.79 MAPK1 (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL16793455 0.78 PDE4A (0.48) PDE4AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL26527678 0.77 RAB9A (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL20876124 0.76 PDE4A (0.45) PDE4AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL24616739 0.74 PDE4A (0.47) PDE4AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3221399 0.74 PDE4A (0.59) PDE4AKDM4EALDH1A1SMN1; SMN2PTGS1

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-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 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-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD PDE4A 1095/4885KDM4E 1605/4885ALDH1A1 1394/4885

“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.