SCHEMBL13320901

SCHEMBL13320901

CC(=O)c1ccncc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4C Q9H3R0 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ELANE P08246 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 2/20 0.38

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
SCHEMBL17260712 0.85 MAPT (0.44) MAPTKDM4ESMN1; SMN2HTTELANE
SCHEMBL5610323 0.83 KDM4C (0.41) MAPTKDM4EKDM4CALDH1A1MEN1
SCHEMBL29952392 0.83 KDM4C (0.53) MAPTKDM4EKDM4CHTTELANE
SCHEMBL2848389 0.83 KDM4C (0.53) MAPTKDM4EKDM4CHTTELANE
SCHEMBL10639037 0.81 HIPK2 (0.40) MAPTKDM4EKDM4CHTTELANE
SCHEMBL3284891 0.81 TDP1 (0.50) MAPTKDM4EKDM4CHTTELANE
SCHEMBL17881866 0.81 HTT (0.40) MAPTKDM4ESMN1; SMN2KDM4CHTT
SCHEMBL2847922 0.81 ALDH1A1 (0.58) KDM4ESMN1; SMN2KDM4CHTTALDH1A1
SCHEMBL29467363 0.81 ALDH1A1 (0.58) KDM4ESMN1; SMN2KDM4CHTTALDH1A1
SCHEMBL4656246 0.79 HTT (0.38) MAPTKDM4ESMN1; SMN2KDM4CHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143055-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2017-03-22 — — EP claimed
WO-2015175280-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-11-19 — — WO claimed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 — — US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 — — 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-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 MAPT 2228/4885KDM4E 1779/4885SMN1; SMN2 3559/4885

“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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