SCHEMBL15004635

SCHEMBL15004635

Cc1cn2ccc(OC(F)(F)F)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
SCN5A Q14524 6/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
SLC6A2 P23975 1/20 0.37
SCN4A P35499 1/20 0.37

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
SCHEMBL13050360 0.82 SCN5A (0.45) SCN5ANPC1RAB9AKDM4EPKM
SCHEMBL13080283 0.81 KDM4E (0.39) SCN5ANPC1RAB9AKDM4EPKM
SCHEMBL7975599 0.80 KDM4E (0.51) HDAC1NPC1RAB9AKDM4EPKM
SCHEMBL24760174 0.79 HDAC1 (0.37) HDAC1NPC1RAB9AKDM4EPKM
SCHEMBL15004640 0.78 SCN5A (0.52) SCN5ANPC1RAB9AKDM4EGAA
SCHEMBL30427342 0.76 KDM4E (0.43) HDAC1NPC1RAB9AKDM4EPKM
SCHEMBL15767035 0.76 GRM5 (0.44) HDAC1TP53SMN1; SMN2
SCHEMBL23971939 0.73 HDAC1 (0.42) HDAC1NPC1RAB9AKDM4EPKM
SCHEMBL15004606 0.73 HDAC1 (0.47) HDAC1NPC1RAB9AKDM4EPKM
SCHEMBL29372804 0.73 NPC1 (0.38) SCN5ANPC1RAB9AKDM4EPKM

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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A HDAC1 131/4885SCN5A 972/4885NPC1 2094/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A HDAC1 131/4885SCN5A 972/4885NPC1 2094/4885

“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.