SCHEMBL4035219

SCHEMBL4035219

O=C(CCc1c(Br)cccc1Br)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
NR4A2 P43354 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
GSK3B P49841 2/20 0.48
PTPN1 P18031 1/20 0.48
HDAC1 Q13547 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 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
SCHEMBL4039244 0.82 CTNNB1 (0.49) MAPTLMNANPC1RAB9AHDAC1
SCHEMBL4035031 0.82 ERCC5 (0.50) NPC1KMT2AMEN1SMN1; SMN2USP2
SCHEMBL23395750 0.81 GPR52 (0.55) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL4035681 0.80 GPR17 (0.57) HDAC1HDAC8ALDH1A1HDAC3HDAC4
SCHEMBL4038562 0.79 CES2 (0.54) TDP1MAPTL3MBTL1LMNANPC1
SCHEMBL4041593 0.78 CES2 (0.53) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL4041681 0.78 GSK3B (0.61) GSK3BGAAHSD11B1
SCHEMBL14148109 0.76 PDE4A (0.46) TDP1MAPTLMNANPC1RAB9A
SCHEMBL7198078 0.76 MAPT (0.53) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL719034 0.75 NR4A2 (0.85) TDP1MAPTL3MBTL1LMNANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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 (1 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-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 TDP1 649/4885MAPT 3317/4885L3MBTL1 3446/4885

“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.