SCHEMBL16964516

SCHEMBL16964516

CC(=O)c1ccc(C(=O)NCCC(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.50
KCNH2 Q12809 6/20 0.50
SCN5A Q14524 6/20 0.50
MLYCD O95822 1/20 0.46
KDM4E B2RXH2 1/20 0.45
EPHX2 P34913 9/20 0.44
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2J2 P51589 1/20 0.41

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
SCHEMBL16963708 0.89 SCN9A (0.50) SCN9AKCNH2SCN5AMLYCDEPHX2
SCHEMBL840824 0.82 P4HTM (0.51) SCN9AKCNH2SCN5AKDM4EEPHX2
SCHEMBL16964471 0.81 EPHX2 (0.47) SCN9AKCNH2SCN5AMLYCDKDM4E
SCHEMBL839676 0.81 MAPK1 (0.57) SCN9AKCNH2SCN5AMLYCDKDM4E
SCHEMBL3668875 0.81 SCN9A (0.47) SCN9AKCNH2SCN5AMLYCDEPHX2
SCHEMBL16964303 0.81 MLYCD (0.58) MLYCDEPHX2
SCHEMBL16964682 0.80 RAB9A (0.60) EPHX2
SCHEMBL16964674 0.74 ALDH1A1 (0.47) SCN9AKCNH2SCN5AKDM4E
SCHEMBL18359001 0.74 LMNA (0.62) MLYCD
SCHEMBL841772 0.74 KCNH2 (0.57) SCN9AKCNH2SCN5AKDM4EEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920042-B2 Compounds for use in the treatment of mycobacterial infections UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-03-20 US disclosed
US-9920042-B2 Compounds for use in the treatment of mycobacterial infections UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-03-20 US disclosed
US-9920042-B2 Compounds for use in the treatment of mycobacterial infections UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-03-20 US disclosed
EP-2900638-B1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITÉ DE DROIT ET DE LA SANTÉ DE LILLE 2 (FR) 2017-01-04 EP disclosed
EP-2900638-B1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITÉ DE DROIT ET DE LA SANTÉ DE LILLE 2 (FR) 2017-01-04 EP disclosed
US-20150225388-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-08-13 US disclosed
US-20150225388-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-08-13 US disclosed
US-20150225388-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-08-13 US disclosed
EP-2900638-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS Université de Droit et de la Santé de Lille 2 (FR) 2015-08-05 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-20150225388-A1 COMPOUNDS FOR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS C5, ALK, TYR SCN9A 3729/4885KCNH2 2242/4885SCN5A 1581/4885

“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.