SCHEMBL11915501

SCHEMBL11915501

Cc1cnccc1NC=S

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
PTGS1 P23219 7/20 0.34
PTGS2 P35354 7/20 0.34
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AOC1 P19801 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL17359217 0.84 PTGS1 (0.37) PTGS1PTGS2ALDH1A1MAPTKMT2A
SCHEMBL14361044 0.80 PTGS1 (0.37) CA12CA1CA2CA9CA14
SCHEMBL1630931 0.74
SCHEMBL28813239 0.72
SCHEMBL839793 0.72
Hydrochloric Acid SCHEMBL28723819 0.72 AOC1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL23175824 0.72 IL2 (0.34) PTGS1PTGS2ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL271613 0.71 CA12 (0.48) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL30443745 0.71 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL11289154 0.70 MAPT (0.48) ALDH1A1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160135464-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-05-19 US disclosed
US-9107413-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-08-18 US disclosed
US-9018388-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9018136-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-8916183-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-23 US disclosed
US-20140315721-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-23 US disclosed
US-8815922-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-20140206668-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-24 US disclosed
US-20130203593-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-08-08 US disclosed
US-20130203592-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-08-08 US disclosed
US-20120202687-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC 2012-08-09 US 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 (6 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-20160135464-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR CA12 4305/4885CA1 2358/4885CA2 464/4885
US-20140315721-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR CA12 4305/4885CA1 2358/4885CA2 464/4885
US-20130203593-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR CA12 4305/4885CA1 2358/4885CA2 464/4885
US-20120202687-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR CA12 4305/4885CA1 2358/4885CA2 464/4885
US-20140206668-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR CA12 4305/4885CA1 2358/4885CA2 464/4885
US-20130203592-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR CA12 4305/4885CA1 2358/4885CA2 464/4885

“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.