SCHEMBL3529308

SCHEMBL3529308

CNc1ccc(Br)cc1C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.48
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 4/20 0.45
LMNA P02545 4/20 0.45
MCL1 Q07820 3/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RECQL P46063 2/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
APEX1 P27695 1/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL28530907 0.83 ALDH1A1 (0.51) STAT3ALDH1A1KDM4EGAAGLA
SCHEMBL1323012 0.83 APEX1 (0.58) ALDH1A1KDM4EGLAMAPTMEN1
SCHEMBL21666210 0.81 ALDH1A1 (0.64) STAT3ALDH1A1KDM4EGAAGLA
SCHEMBL21198945 0.80 ALDH1A1 (0.60) STAT3ALDH1A1KDM4EGAAMAPT
SCHEMBL21199639 0.80 ALDH1A1 (0.45) STAT3ALDH1A1KDM4EGAAGLA
SCHEMBL23615720 0.76 STAT3 (0.47) STAT3ALDH1A1KDM4EGAAGLA
SCHEMBL13753947 0.76 HPGD (0.44) STAT3ALDH1A1KDM4EMAPTMEN1
SCHEMBL31173096 0.76 HPGD (0.50) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL21453742 0.76 ALDH1A1 (0.44) STAT3ALDH1A1KDM4EGAAGLA
SCHEMBL25014735 0.76 ALDH1A1 (0.44) STAT3ALDH1A1KDM4EGAAGLA

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-7858794-B2 Tetrahydroquinoline derivatives N.V. ORGANON (NL) 2010-12-28 US disclosed
EP-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed
CN-100404508-C Tetrahydroquinoline derivatives AKZO NOBEL NV (NL) 2008-07-23 CN disclosed
US-20060142334-A1 Tetrahydroquinoline derivatives MERCK SHARP & DOHME B.V. (NL) 2006-06-29 US disclosed
CN-1729175-A Tetrahydroquinoline derivatives AKZO NOBEL NV (NL) 2006-02-01 CN disclosed
EP-1578726-A2 TETRAHYDROQUINOLINE DERIVATIVES Akzo Nobel N.V. (NL) 2005-09-28 EP disclosed
WO-2004056780-A2 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL N.V. (NL) 2004-07-08 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 (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-20060142334-A1 Tetrahydroquinoline derivatives GNRHR, KCNH3, HCAR3 STAT3 1095/4885ALDH1A1 1133/4885KDM4E 394/4885

“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.