SCHEMBL17189971

SCHEMBL17189971

CCCC(F)(F)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AHR P35869 1/20 0.40
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM2 P08172 1/20 0.36

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
SCHEMBL16234253 0.84 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCYP1A2KDM4E
SCHEMBL21191856 0.78 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP1A2KDM4ELMNA
SCHEMBL18427298 0.78 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP1A2KDM4ELMNA
SCHEMBL22420948 0.78 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1AHRKDM4EBLM
SCHEMBL9168328 0.78 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1AHRCYP1A2KDM4E
SCHEMBL7742363 0.78 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCYP1A2KDM4E
SCHEMBL9969506 0.77 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1AHRBLMCYP2D6
SCHEMBL8341980 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRKDM4ELMNA
SCHEMBL8146538 0.77 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CYP1A2KDM4ELMNA
SCHEMBL21742030 0.77 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRCYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 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-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SMN1; SMN2 2666/4885L3MBTL1 3942/4885AHR 1337/4885

“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.