SCHEMBL1246794

SCHEMBL1246794

N#CCc1cc(C(=O)O)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NR4A2 P43354 3/20 0.43
SRD5A2 P31213 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMO O15229 1/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
ALOX15 P16050 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
RORC P51449 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5963897 0.86 TSHR (0.53) TSHRALDH1A1MAPTNR4A2SRD5A2
SCHEMBL8988646 0.82 ALDH1A1 (0.42) ALDH1A1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL2192295 0.81 ALDH1A1 (0.50) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL24993101 0.79 FOLH1 (0.40) TSHRALDH1A1MAPTSRD5A2KMT2A
SCHEMBL30227198 0.79 FOLH1 (0.40) TSHRALDH1A1MAPTSRD5A2KMT2A
SCHEMBL31395893 0.79 ALDH1A1 (0.48) ALDH1A1MRGPRX4
SCHEMBL194940 0.79 CA12 (0.49) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL16011692 0.78 TSHR (0.61) TSHRALDH1A1MAPTNR4A2SRD5A2
SCHEMBL13180335 0.78 TSHR (0.61) TSHRALDH1A1MAPTNR4A2SRD5A2
SCHEMBL1246048 0.77 TSHR (0.59) TSHRALDH1A1MAPTNR4A2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
CN-102625808-A Spirocyclic amide derivatives ASTRAZENECA AB 2012-08-01 CN disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
CN-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 CN disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
EP-2097374-B1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI AVENTIS (FR) 2010-06-09 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
EP-2097374-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008087278-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI-AVENTIS (FR) 2008-07-24 WO disclosed
CN-101080396-A Quinoxalines as B Raf inhibitors ASTRAZENECA AB (SE) 2007-11-28 CN 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 (4 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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 TSHR 1880/4885ALDH1A1 155/4885MAPT 3032/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 TSHR 2016/4885ALDH1A1 102/4885MAPT 3010/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 TSHR 1318/4885ALDH1A1 264/4885MAPT 1487/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF TSHR 4042/4885ALDH1A1 1175/4885MAPT 4559/4885

“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.