SCHEMBL6158673

SCHEMBL6158673

NCc1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.68
MAPT P10636 1/20 0.58
HTR2A P28223 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SRD5A2 P31213 1/20 0.47
IDO1 P14902 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP14 P50281 2/20 0.42
MAOB P27338 3/20 0.42
APP P05067 1/20 0.42

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
Water SCHEMBL921680 0.98 ST14 (0.65) ST14MAPTHTR2ATAAR1SRD5A2
Hydrochloric Acid SCHEMBL921495 0.98 ST14 (0.65) ST14MAPTHTR2ATAAR1SRD5A2
SCHEMBL4209153 0.88 ST14 (0.85) ST14HRH3MMP2MMP9MMP8
SCHEMBL112119 0.85
Hydrochloric Acid SCHEMBL161528 0.83 TAAR1 (0.59) MAPTHTR2ATAAR1IDO1HRH3
Methane SCHEMBL10520385 0.83 TAAR1 (0.59) HTR2ATAAR1IDO1HRH3
Bromide SCHEMBL29023877 0.83 TAAR1 (0.59) HTR2ATAAR1IDO1HRH3
Iodide SCHEMBL28970937 0.83 TAAR1 (0.59) HTR2ATAAR1IDO1HRH3
SCHEMBL923091 0.82 ST14 (0.62) ST14MAPTTAAR1IDO1MAOB
SCHEMBL28006451 0.81 ST14 (0.74) ST14TAAR1HRH3MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO disclosed
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 ST14 3220/4885MAPT 4629/4885HTR2A 1901/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ST14 708/4885MAPT 695/4885HTR2A 4680/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 ST14 3066/4885MAPT 4540/4885HTR2A 2138/4885

“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.