SCHEMBL17320994

SCHEMBL17320994

CCc1cc(C)nn1CF

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
GLS O94925 1/20 0.38
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CRHR1 P34998 1/20 0.33
POLB P06746 2/20 0.33
APAF1 O14727 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.31

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
SCHEMBL9608890 0.83 GAA (0.44) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL23571796 0.79 ADORA2B (0.44) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL14621515 0.79 KCNJ6 (0.40) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL22149944 0.77 KDM4E (0.42) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL8297013 0.76 GAA (0.47) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL4359364 0.72 PTGS2 (0.47) ALDH1A1KDM4ELMNAGAAPOLB
SCHEMBL12875692 0.72 LMNA (0.39) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL256691 0.71
SCHEMBL23467588 0.70 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAGAAPOLB
SCHEMBL21768349 0.68 GAA (0.43) ALDH1A1KDM4EGLAGLSLMNA

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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2883/4885KDM4E 1692/4885GLA 98/4885

“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.