SCHEMBL2837599

SCHEMBL2837599

Cc1c(O)c(=O)ccn1CC=CN

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
TP53 P04637 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM6A O15550 1/20 0.47
KDM4A O75164 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM5C P41229 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
DOHH Q9BU89 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
APP P05067 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
COMT P21964 2/20 0.41
MAOB P27338 11/20 0.40

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
SCHEMBL20386661 0.81 KDM4E (0.57) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL958138 0.80 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8716751 0.80 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL13003558 0.78 KDM4E (0.60) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL4394165 0.76 KDM4E (0.58) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5525055 0.75 KDM4E (0.62) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL2511741 0.75 KDM4E (0.57) KDM4ETP53CYP2D6HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL21523588 0.73 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5136933 0.73 APP (0.58) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL13856905 0.73 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2

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-20100298270-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
WO-2009015203-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO 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-20100298270-A1 Novel Compounds and Methods of Using Them HDAC1, HDAC3, HDAC6 KDM4E 90/4885TP53 2351/4885CYP2D6 3134/4885

“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.