SCHEMBL4023145

SCHEMBL4023145

O=C(NC1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.74
ALOX15 P16050 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
MAPT P10636 3/20 0.72
MAPK1 P28482 1/20 0.72
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
GLA P06280 1/20 0.62
SIRT1 Q96EB6 9/20 0.58
SIRT2 Q8IXJ6 3/20 0.57
SIRT3 Q9NTG7 2/20 0.57
BRD3 Q15059 1/20 0.54
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
CYP2D6 P10635 1/20 0.50
CDC42 P60953 1/20 0.50
MAPKAPK2 P49137 1/20 0.50

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
SCHEMBL4022078 1.00 DHODH (0.74) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4024080 1.00 DHODH (0.74) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4025938 0.87 CYP2D6 (0.67) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4021476 0.87 SIRT1 (0.61) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4024141 0.87 CYP2D6 (0.67) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4021888 0.87 CYP2D6 (0.67) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4147581 0.87 ALOX15 (0.66) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL13780962 0.86 DHODH (0.71) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4025335 0.86 RB1 (0.60) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4025898 0.85 DHODH (1.00) DHODHALOX15SMN1; SMN2MAPTMAPK1

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 14 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
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 (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 DHODH 103/4885ALOX15 1407/4885SMN1; SMN2 4443/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT DHODH 62/4885ALOX15 939/4885SMN1; SMN2 4735/4885

“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.