SCHEMBL921646

SCHEMBL921646

Clc1ccc(Cc2cc[c]s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
IDO1 P14902 2/20 0.37
DAO P14920 2/20 0.36
TAAR1 Q96RJ0 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRNP P04156 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HPGD P15428 1/20 0.33
AGXT P21549 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL920294 0.80 MAPT (0.38) ALDH1A1IDO1DAOTAAR1MAPT
SCHEMBL921911 0.76 LTA4H (0.48) ALDH1A1IDO1TAAR1MAPTHPGD
SCHEMBL1106684 0.69 IDO1 (0.58) ALDH1A1IDO1DAOTAAR1SLC6A4
SCHEMBL10719143 0.69 KDM4E (0.33) SMN1; SMN2
SCHEMBL6237322 0.69 L3MBTL1 (0.40) ALDH1A1IDO1DAOMEN1KMT2A
SCHEMBL542609 0.67 IDO1 (0.44) ALDH1A1IDO1DAOTAAR1SLC6A4
SCHEMBL10492334 0.67 HRH4 (0.47) CHRNA4
SCHEMBL3604498 0.66 MEN1 (0.48) ALDH1A1TAAR1MAPTMEN1KMT2A
SCHEMBL5464791 0.65 ALDH1A1 (0.46) ALDH1A1IDO1TAAR1SLC6A4SLC6A2
SCHEMBL920278 0.65 IDO1 (0.38) ALDH1A1IDO1DAOTAAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO claimed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 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 (3 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX ALDH1A1 3801/4885IDO1 111/4885DAO 1233/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ALDH1A1 2743/4885IDO1 675/4885DAO 269/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885IDO1 236/4885DAO 227/4885

“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.