SCHEMBL16479208

SCHEMBL16479208

CCCOc1c(C)cccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 7/20 0.46
▸ KDM4E B2RXH2 2/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ ADRA1D P25100 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ADRA1B P35368 2/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ HTR1B P28222 1/20 0.35

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
SCHEMBL16952414 0.87 SCN8A (0.43) SCN8AKDM4EHTR1AADRA1DADRA1A
SCHEMBL16479216 0.87 SCN8A (0.42) SCN8APTPN1ALDH1A1LMNATSHR
SCHEMBL15926505 0.83 MCHR1 (0.37) SCN8AKDM4ESMN1; SMN2CHRM2LMNA
SCHEMBL16952357 0.81 S1PR1 (0.40) SCN8AKDM4EHTR1AALDH1A1
SCHEMBL13408057 0.80 KCNK3 (0.42) HTR1ASMN1; SMN2CHRM2LMNACHRM1
SCHEMBL1252577 0.80 SMN1; SMN2 (0.45) SCN8ASMN1; SMN2ALDH1A1HCRTR1HCRTR2
SCHEMBL13813328 0.80 SMN1; SMN2 (0.60) SCN8AHTR1AADRA1DADRA1AADRA1B
SCHEMBL1991553 0.78 ALDH1A1 (0.52) SCN8AKDM4EALDH1A1LMNATSHR
SCHEMBL1253226 0.78 MCL1 (0.40) SCN8AALDH1A1KCNH2
SCHEMBL27051373 0.78 F2R (0.44) KDM4EALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 — — EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 — — 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 (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-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 SCN8A 4817/4885KDM4E 4494/4885HTR1A 4742/4885

“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.

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