SCHEMBL4134717

SCHEMBL4134717

Clc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.66
ALOX15 P16050 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GLA P06280 1/20 0.63
MAPK1 P28482 1/20 0.60
SIRT1 Q96EB6 8/20 0.53
CYP2D6 P10635 1/20 0.53
SIRT2 Q8IXJ6 3/20 0.52
SIRT3 Q9NTG7 2/20 0.52
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 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
SCHEMBL4147772 0.87 ALOX15 (0.56) DHODHALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4147416 0.86 GAA (0.60) DHODHALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4144553 0.86 CYP2D6 (0.71) DHODHALOX15SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL4134770 0.85 CYP2D6 (0.70) DHODHALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4150562 0.84 ALOX15 (0.60) DHODHALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4143699 0.84 RB1 (0.62) DHODHALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4147497 0.83 CYP2D6 (0.74) DHODHALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4134983 0.83 SIRT1 (0.55) DHODHALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4148681 0.83 ALOX15 (0.68) DHODHALOX15SMN1; SMN2MAPTMEN1
SCHEMBL4150978 0.83 CYP2D6 (0.67) DHODHALOX15SMN1; SMN2MAPTMEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP claimed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US claimed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 US claimed
EP-1654228-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2004110999-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO claimed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
EP-1824476-A2 TETRAHYDROCARBAZOLE DERIVATIVES FOR TREATING FLAVIRIDAE VIRUSES SmithKline Beecham Corporation (US) 2007-08-29 EP disclosed
WO-2006121467-A2 TETRAHYDROCARBAZOLE DERIVATIVES FOR TREATING FLAVIRIDAE VIRUSES SMITHKLINE BEECHAM CORPORATION (US) 2006-11-16 WO disclosed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 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-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 DHODH 103/4885ALOX15 1407/4885SMN1; SMN2 4443/4885
US-20060161002-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.