SCHEMBL4025091

SCHEMBL4025091

O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 12/20 0.64
CYP2D6 P10635 2/20 0.56
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
KCNH2 Q12809 1/20 0.52
DHODH Q02127 2/20 0.51
RB1 P06400 1/20 0.46
PRMT5 O14744 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
SCHEMBL21114861 1.00 BRD3 (0.64) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL4022199 0.90 CYP2D6 (0.54) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL4026169 0.90 CYP2D6 (0.56) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL4027103 0.90 ALOX15 (0.64) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL4025938 0.89 CYP2D6 (0.67) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL4021888 0.89 CYP2D6 (0.67) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL4024141 0.89 CYP2D6 (0.67) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL4024615 0.89 BRD3 (0.60) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL14065002 0.89 BRD3 (0.55) BRD3CYP2D6MAPTALOX15MAPK1
SCHEMBL5454074 0.88 BRD3 (0.67) BRD3MAPTALOX15MAPK1SMN1; SMN2

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 19 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
JP-2007500750-A 2007-01-18 JP claimed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1646610-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SmithKline Beecham Corporation (US) 2006-04-19 EP claimed
WO-2005005386-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2005-01-20 WO claimed
US-10736911-B2 Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-11 US disclosed
US-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-07-11 US disclosed
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
EP-1646610-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SmithKline Beecham Corporation (US) 2006-04-19 EP disclosed
WO-2005005386-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2005-01-20 WO 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 (4 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 BRD3 4059/4885CYP2D6 994/4885MAPT 1187/4885
US-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE DHODH, DPYD, DHPS BRD3 3233/4885CYP2D6 306/4885MAPT 3576/4885
US-10736911-B2 Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage DHODH, DPYD, DHPS BRD3 3233/4885CYP2D6 306/4885MAPT 3576/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT BRD3 22/4885CYP2D6 660/4885MAPT 1102/4885

“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.