SCHEMBL4035932

SCHEMBL4035932

O=C(CCc1c(Br)cccc1Br)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.62
MEN1 O00255 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC1 Q13547 2/20 0.51
GSK3B P49841 1/20 0.50
CTNNB1 P35222 5/20 0.48
WNT3A P56704 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ERCC5 P28715 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
SCHEMBL2216212 0.78 ALDH1A1 (1.00) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL15979685 0.77 ALDH1A1 (0.68) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL10352206 0.75 ALDH1A1 (0.77) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL17448619 0.75 HPGD (0.65) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL22721189 0.75 ALDH1A1 (0.83) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL251992 0.75 NPC1 (0.69) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL5188799 0.74 ALDH1A1 (0.81) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL15988678 0.73 ALDH1A1 (0.72) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL6423116 0.73 ALDH1A1 (0.80) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL3224084 0.73 ALDH1A1 (0.80) KMT2AALDH1A1LMNAMEN1NPC1

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 KMT2A 2353/4885ALDH1A1 3257/4885LMNA 497/4885

“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.