SCHEMBL6873209

SCHEMBL6873209

Cl[CH]OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
IDO1 P14902 1/20 0.50
AGXT P21549 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAOB P27338 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CALM1 P0DP23 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40

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
SCHEMBL28993722 0.83 TSHR (0.48) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL27509183 0.81 TSHR (0.57) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL666545 0.81 TSHR (0.57) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL901056 0.77 TSHR (0.52) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL58206 0.77 TSHR (0.52) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL25293204 0.77 TSHR (0.52) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL2856970 0.77 TSHR (0.52) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL2068701 0.77 TSHR (0.52) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL5954673 0.77 TSHR (0.52) TSHRIDO1AGXTALDH1A1MAOB
Benzene SCHEMBL25178056 0.77 TSHR (0.52) TSHRIDO1AGXTALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762564-B Georelin receptor agonists for the treatment of cachexia RAQUALIA PHARMA INC. (JP) 2015-09-30 CN disclosed
US-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-12-18 US disclosed
EP-2805948-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF Santen Pharmaceutical Co., Ltd (JP) 2014-11-26 EP disclosed
CN-104136432-A Industrial process for producing 1, 2-dihydroquinoline derivative or salt thereof and intermediate for producing the same SANTEN PHARMACEUTICAL CO LTD 2014-11-05 CN disclosed
CN-101600700-B Novel 2-amino oxazolines as TAAR1 ligands for CNS disorders HOFFMANN LA ROCHE 2013-08-21 CN disclosed
CN-102378751-A Improved process for preparing dipeptidyl peptidase-IV inhibitors and intermediates DONG A PHARM CO LTD 2012-03-14 CN disclosed
EP-1106610-B1 Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed
EP-1019395-B1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-01-30 EP disclosed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 EP disclosed
EP-1019395-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-19 EP disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 US disclosed
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 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-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF NR3C2, NR5A1, NR3C1 TSHR 555/4885IDO1 2632/4885AGXT 3600/4885

“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.