SCHEMBL4967786

SCHEMBL4967786

COc1cc(OC)nc(NC2CCCc3c2[nH]c2ccc(C)cc32)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
CASP6 P55212 1/20 0.56
PRMT5 O14744 2/20 0.53
SIRT1 Q96EB6 4/20 0.49
RECQL P46063 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
CYP2D6 P10635 2/20 0.47
BRD3 Q15059 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 1/20 0.41
CDKN1A P38936 1/20 0.41
CDC42 P60953 1/20 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
Hydrochloric Acid SCHEMBL4142830 0.99 GAA (0.58) GAACASP6PRMT5SIRT1RECQL
SCHEMBL4150301 0.88 ALOX15 (0.57) SIRT1SIRT2CYP2D6MAPTALOX15
SCHEMBL4967637 0.88 CYP2D6 (0.62) GAACASP6PRMT5SIRT1CYP2D6
SCHEMBL4147416 0.82 GAA (0.60) GAACASP6PRMT5SIRT1RECQL
SCHEMBL16941536 0.79 GAA (0.65) GAACASP6PRMT5SIRT1RECQL
SCHEMBL16946169 0.78 CYP2D6 (0.74) GAACASP6PRMT5SIRT1RECQL
SCHEMBL4156108 0.78 CYP2D6 (0.74) GAACASP6PRMT5SIRT1RECQL
SCHEMBL13801187 0.76 CYP2D6 (0.65) GAACASP6PRMT5SIRT1RECQL
SCHEMBL4150562 0.76 ALOX15 (0.60) GAACASP6SIRT1SIRT2CYP2D6
SCHEMBL4152508 0.76 GAA (0.78) GAACASP6PRMT5SIRT1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP claimed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 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-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 GAA 908/4885CASP6 2539/4885PRMT5 3261/4885

“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.