SCHEMBL17844127

SCHEMBL17844127

Cc1cc(Cl)ccc1-c1nonc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP4K4 O95819 1/20 0.38
HSP90AB1 P08238 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
RPS6KB1 P23443 1/20 0.37
GSK3B P49841 1/20 0.37
DPP4 P27487 2/20 0.36
RPS6KA5 O75582 1/20 0.36
CRHR1 P34998 1/20 0.36
HSP90AA1 P07900 1/20 0.36
BCHE P06276 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL17861269 0.83 RAB9A (0.44) TSHRSMN1; SMN2TP53MAPTHSP90AB1
SCHEMBL10987104 0.72 CYP2D6 (0.50) NOTUMCYP3A4SMN1; SMN2CASP3HSP90AB1
SCHEMBL28857418 0.72 HTT (0.48) NOTUMCYP3A4SMN1; SMN2CASP3HSP90AB1
SCHEMBL29719717 0.71 NOTUM (0.53) NOTUMCYP3A4TP53CASP3
SCHEMBL1457676 0.71 MAPT (0.46) NOTUMTSHRSMN1; SMN2TP53MAPT
SCHEMBL21223570 0.69 GRM2 (0.43) NOTUMCYP3A4SMN1; SMN2CASP3MAP4K4
SCHEMBL31256743 0.68 ESR1 (0.54) NOTUMCASP3CRHR1HSP90AA1
SCHEMBL28144723 0.68 CCR9 (0.47) NOTUMCYP3A4NPSR1MAP4K4HSP90AB1
SCHEMBL11884841 0.67 RPS6KB1 (0.46) TSHRSMN1; SMN2TP53NPSR1RPS6KB1
SCHEMBL12071484 0.67 NOTUM (0.50) NOTUMCYP3A4TP53CASP3HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
EP-3232788-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-10-25 EP disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 WO disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 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 (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-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 NOTUM 5/4885CYP3A4 1118/4885TSHR 3449/4885

“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.