SCHEMBL4024670

SCHEMBL4024670

COc1ccc(NC(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
SIRT1 Q96EB6 1/20 0.52
BRD3 Q15059 4/20 0.51
KCNH2 Q12809 1/20 0.50
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDGFRB P09619 2/20 0.48
FGFR1 P11362 2/20 0.48
KDR P35968 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
FPR1 P21462 1/20 0.45
MAPKAPK2 P49137 2/20 0.45
DHODH Q02127 2/20 0.44

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
SCHEMBL4024353 0.88 SIRT1 (0.52) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4025034 0.87 CYP2D6 (0.71) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4023923 0.87 CYP2D6 (0.54) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4028422 0.87 CYP2D6 (0.50) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4023608 0.87 CYP2D6 (0.53) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4150973 0.85 CYP2D6 (0.74) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4172365 0.83 CYP2D6 (0.60) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4152166 0.81 CYP2D6 (0.61) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4152213 0.81 BRD3 (0.75) CYP2D6SIRT1BRD3KCNH2MAPT
SCHEMBL4025827 0.80 MEN1 (0.54) CYP2D6SIRT1BRD3KCNH2MAPT

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 CYP2D6 994/4885SIRT1 418/4885BRD3 4059/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885SIRT1 1590/4885BRD3 22/4885

“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.