SCHEMBL10264178

SCHEMBL10264178

CCCOCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 6/20 0.41
APP P05067 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL648284 0.89 TSHR (0.43) IDO1AGXTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL27477430 0.86 IDO1 (0.48) IDO1AGXTMAOBAPPL3MBTL1
SCHEMBL5599359 0.82 NAAA (0.42) IDO1AGXTL3MBTL1
SCHEMBL353573 0.82 IDO1 (0.54) IDO1AGXTMAOBAPPLMNA
SCHEMBL7888039 0.81 IDO1 (0.64) IDO1AGXTMAOBAPPL3MBTL1
SCHEMBL22519873 0.81 IDO1 (0.48) IDO1AGXTMAOBAPPL3MBTL1
SCHEMBL7838626 0.80 AGXT (0.52) IDO1AGXTMAOBLMNACHRM3
SCHEMBL10458653 0.80 IDO1 (0.52) IDO1AGXTMAOBAPPLOXL2
SCHEMBL863050 0.80 LTA4H (0.48) IDO1LMNACHRM3
SCHEMBL23267781 0.78 TP53 (0.37) APPLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 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 (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-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E IDO1 4136/4885AGXT 4035/4885MAOB 2012/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 IDO1 3743/4885AGXT 2062/4885MAOB 1706/4885

“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.