SCHEMBL16653370

SCHEMBL16653370

C#CCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CDC7 O00311 2/20 0.38
DBF4 Q9UBU7 2/20 0.38
S1PR1 P21453 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL16682208 0.92 CDC7 (0.38) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL16660133 0.89 CYP1A2 (0.46) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL16660137 0.88 FNTA (0.33)
SCHEMBL290181 0.88 HSD17B10 (0.43) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL16652927 0.87 KDM4E (0.42) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL23746266 0.85 S1PR1 (0.50) KDM4EALDH1A1MAPTCDC7DBF4
SCHEMBL16660135 0.84 DYRK1A (0.34)
SCHEMBL16660124 0.84 CYP3A4 (0.44) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL290820 0.83 PAX8 (0.45) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL16653286 0.82 CYP3A4 (0.47) KDM4EALDH1A1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US disclosed
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US disclosed
EP-3062619-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-07-24 EP disclosed
EP-3062619-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-07-24 EP disclosed
WO-2015061151-A9 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2016-04-21 WO disclosed
WO-2015061151-A9 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2016-04-21 WO disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
WO-2015061151-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 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 (1 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-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, CHRM2 KDM4E 1162/4885ALDH1A1 3550/4885MAPT 4412/4885

“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.