SCHEMBL13047445

SCHEMBL13047445

CSCC(C)(C)C(=O)N(C)c1sc(-c2cccnc2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C19 P33261 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 6/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GFER P55789 1/20 0.41
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
POLB P06746 1/20 0.37

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
SCHEMBL13047521 0.89 KDM4E (0.42) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13048084 0.89 HSD17B10 (0.40) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13047978 0.88 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13047544 0.87 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL13047489 0.87 HSD17B10 (0.41) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13047687 0.84 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13047839 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13048432 0.83 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13047458 0.82 PIK3CG (0.32) CYP1A2CYP3A4CYP2C19
SCHEMBL18569329 0.82 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 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 (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-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885CYP2C19 1003/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885CYP2C19 1003/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885CYP2C19 1003/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885CYP2C19 1003/4885

“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.