SCHEMBL4028219

SCHEMBL4028219

O=C(Nc1ccccc1)NC1CCCc2c1[nH]c1ccccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.57
SIRT1 Q96EB6 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
BRD3 Q15059 2/20 0.53
LMNA P02545 1/20 0.52
CYP2D6 P10635 1/20 0.51
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DHODH Q02127 1/20 0.48
PRMT5 O14744 1/20 0.47
EGFR P00533 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
SCHEMBL4025034 0.87 CYP2D6 (0.71) SIRT1MEN1KMT2ABRD3CYP2D6
SCHEMBL4030994 0.87 SIRT1 (0.59) SIRT1MEN1KMT2ASIRT2BRD3
SCHEMBL4030859 0.87 ALOX15 (0.70) SIRT1MEN1KMT2ASIRT2BRD3
SCHEMBL13780949 0.85 RB1 (0.60) RB1SIRT1SIRT2BRD3CYP2D6
SCHEMBL4025335 0.83 RB1 (0.60) RB1SIRT1SIRT2BRD3CYP2D6
SCHEMBL5752391 0.83 MAPT (0.70) RB1SIRT1SIRT2BRD3CYP2D6
SCHEMBL4144167 0.81 CYP2D6 (0.73) RB1SIRT1MEN1KMT2ASIRT2
SCHEMBL13780953 0.80 RB1 (0.58) RB1SIRT1SIRT2BRD3MAPT
SCHEMBL5452761 0.76 GAA (0.56) SIRT1MEN1KMT2ASIRT2BRD3
SCHEMBL2320201 0.75 RB1 (0.70) RB1SIRT1MEN1KMT2ASIRT2

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 12 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
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 RB1 4460/4885SIRT1 418/4885MEN1 4661/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT RB1 1088/4885SIRT1 1590/4885MEN1 1550/4885

“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.