SCHEMBL1120019

SCHEMBL1120019

C[C@H]1C=Cc2c(N)cc(C(F)(F)F)nc2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CDK8 P49336 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL21963366 0.65 ACHE (0.42) HSP90AA1HSP90AB1
SCHEMBL31475657 0.65 ACHE (0.42) HSP90AA1HSP90AB1
SCHEMBL20420239 0.62 LIMK1 (0.35)
SCHEMBL23992750 0.61 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL17413773 0.61
SCHEMBL23676577 0.60 KDM4E (0.33) ALDH1A1KDM4EHSD17B10
SCHEMBL30303130 0.59 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19ALDH1A1
SCHEMBL21865977 0.59 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19ALDH1A1
SCHEMBL17008992 0.59 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19ALDH1A1
SCHEMBL23580267 0.58 HSP90AA1 (0.38) HSP90AA1HSP90AB1CDK8CDK19ALDH1A1

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-8153803-B2 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION (US) 2012-04-10 US disclosed
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2009-10-15 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-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY SIRT2, SIRT1, SIRT3 HSP90AA1 357/4885HSP90AB1 212/4885CDK8 1034/4885

“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.