SCHEMBL6902018

SCHEMBL6902018

CN1CCC(NC(=S)NNC=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LMNA P02545 2/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL25387824 0.74 PKM (0.43) PKMALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL27660973 0.72 KDM4E (0.36) ALDH1A1KDM4EPOLB
SCHEMBL25646004 0.69 SSTR4 (0.41) ALDH1A1KDM4EPOLB
SCHEMBL8563219 0.69 PKM (0.38) PKMALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL769923 0.68 ADH1B (0.59) PKMALDH1A1KDM4EPOLB
SCHEMBL31487056 0.67 GAA (0.55) PKMGAA
SCHEMBL508551 0.66 ATM (0.45) ALDH1A1KDM4E
SCHEMBL2016562 0.66 KDM4E (0.49) ALDH1A1KDM4E
SCHEMBL15796814 0.65 KDM4E (0.43) ALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL19457387 0.65 KDM4E (0.43) ALDH1A1KDM4E

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
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 PKM 3059/4885ALDH1A1 1444/4885TP53 1568/4885

“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.