SCHEMBL13780949

SCHEMBL13780949

CNC(=O)NC1CCCc2c1[nH]c1ccccc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.60
SIRT1 Q96EB6 2/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
BRD3 Q15059 4/20 0.56
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DHODH Q02127 1/20 0.50
MAPKAPK2 P49137 1/20 0.45
CDC42 P60953 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL4028219 0.85 RB1 (0.57) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL5752391 0.85 MAPT (0.70) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL13780953 0.84 RB1 (0.58) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL2320201 0.83 RB1 (0.70) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL4025335 0.82 RB1 (0.60) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL31120777 0.79 RB1 (0.53) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL13748402 0.79 RB1 (0.68) RB1SIRT1SIRT2BRD3CDC42
SCHEMBL28862190 0.77 RB1 (0.67) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL31120762 0.77 RB1 (0.50) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL31120761 0.77 BRD3 (0.52) RB1SIRT1SIRT2BRD3MAPT

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-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 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-20090170906-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 RB1 4460/4885SIRT1 418/4885SIRT2 537/4885

“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.