SCHEMBL4022940

SCHEMBL4022940

Cn1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Cl)cc32)n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.69
ALOX15 P16050 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 3/20 0.64
MAPK1 P28482 1/20 0.64
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GLA P06280 1/20 0.55
SIRT1 Q96EB6 9/20 0.52
SIRT2 Q8IXJ6 3/20 0.51
BRD3 Q15059 3/20 0.51
SIRT3 Q9NTG7 2/20 0.51
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4022138 0.83 DHODH (0.75) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4025228 0.82 DHODH (1.00) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4025898 0.82 DHODH (1.00) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4022761 0.82 DHODH (1.00) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL30338397 0.82 DHODH (1.00) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4022707 0.82 DHODH (0.72) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4021661 0.81 DHODH (0.66) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4251737 0.81 DHODH (0.75) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4023338 0.80 ALOX15 (0.63) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4254861 0.80 DHODH (0.79) 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 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 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.