SCHEMBL3430967

SCHEMBL3430967

CC(OC(C)(F)F)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
SLC6A4 P31645 2/20 0.33
PDE2A O00408 1/20 0.33
AOC3 Q16853 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACHE P22303 1/20 0.32
CASR P41180 1/20 0.32
MEN1 O00255 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
SCHEMBL18355380 0.85 IDO1 (0.40) IDO1TDO2KMT2AALDH1A1LMNA
SCHEMBL10202777 0.84 IDO1 (0.36) IDO1TDO2KMT2AALDH1A1LMNA
SCHEMBL15677626 0.82 ADRB2 (0.43) IDO1TDO2KMT2AALDH1A1LMNA
SCHEMBL28602446 0.75 IDO1 (0.46) IDO1TDO2KMT2AHTTSLC6A4
SCHEMBL13929388 0.73 AOC3 (0.46) IDO1TDO2KMT2AALDH1A1LMNA
SCHEMBL12784519 0.73 AOC3 (0.46) IDO1TDO2KMT2AALDH1A1LMNA
SCHEMBL16866821 0.71 IDO1 (0.43) IDO1TDO2HTTSLC6A4AOC3
SCHEMBL17226284 0.71 IDO1 (0.43) IDO1TDO2ALDH1A1HTTSLC6A4
SCHEMBL7851156 0.70 TACR1 (0.39) IDO1TDO2KMT2ALMNASLC6A4
SCHEMBL31489920 0.70 AOC3 (0.41) IDO1TDO2ALDH1A1HTTPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E IDO1 4136/4885TDO2 4447/4885KMT2A 3048/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 IDO1 3743/4885TDO2 3778/4885KMT2A 3427/4885

“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.