SCHEMBL4030994

SCHEMBL4030994

Cc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.59
GAA P10253 1/20 0.58
CASP6 P55212 1/20 0.58
RECQL P46063 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
BRD3 Q15059 5/20 0.55
CYP2D6 P10635 2/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PRMT5 O14744 2/20 0.52
DHODH Q02127 1/20 0.51
CDKN1A P38936 1/20 0.48
CDC42 P60953 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5452761 0.90 GAA (0.56) SIRT1GAACASP6RECQLSIRT2
SCHEMBL4030859 0.88 ALOX15 (0.70) SIRT1SIRT2BRD3CYP2D6MAPT
SCHEMBL4025034 0.88 CYP2D6 (0.71) SIRT1BRD3CYP2D6MAPTALOX15
SCHEMBL4028219 0.87 RB1 (0.57) SIRT1SIRT2BRD3CYP2D6MAPT
SCHEMBL5454043 0.86 BRD3 (0.57) SIRT1GAACASP6RECQLSIRT2
SCHEMBL4021476 0.85 SIRT1 (0.61) SIRT1GAACASP6RECQLSIRT2
SCHEMBL16946169 0.83 CYP2D6 (0.74) SIRT1GAACASP6RECQLSIRT2
SCHEMBL4156108 0.83 CYP2D6 (0.74) SIRT1GAACASP6RECQLSIRT2
SCHEMBL4161447 0.83 BRD3 (0.77) SIRT1GAACASP6RECQLSIRT2
SCHEMBL15577169 0.82 MAPT (0.75) SIRT1GAACASP6RECQLSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP claimed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US claimed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
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
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 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 (2 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 SIRT1 418/4885GAA 908/4885CASP6 2539/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT SIRT1 1590/4885GAA 3282/4885CASP6 979/4885

“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.