SCHEMBL17824436

SCHEMBL17824436

COC(=O)c1nc2cccc(Cl)c2cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
PKM P14618 3/20 0.42
RCE1 Q9Y256 1/20 0.42
TP53 P04637 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
NQO2 P16083 3/20 0.41
CFTR P13569 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ABL1 P00519 1/20 0.40
CDK9 P50750 2/20 0.40
DYRK1A Q13627 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL17832742 0.85 GLP1R (0.47) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL17824528 0.78 MAPT (0.47) KDM4ETP53PDE3BPDE3AALDH1A1
SCHEMBL3364626 0.78 TLR8 (0.46) KDM4EPKMRCE1TP53CFTR
SCHEMBL26617774 0.77 KDM4E (0.57) KDM4EPKMTP53PDE3BPDE3A
SCHEMBL26617970 0.76 KDM4E (0.56) KDM4EPKMTP53PDE3BPDE3A
SCHEMBL31345618 0.76 KDM4E (0.56) KDM4EPKMTP53PDE3BPDE3A
SCHEMBL23628471 0.74 NQO2 (0.47) KDM4EPKMRCE1NQO2CFTR
SCHEMBL14145457 0.73 NQO2 (0.46) KDM4EPKMRCE1NQO2CFTR
SCHEMBL30693766 0.72 KDM4E (0.50) KDM4EPKMRCE1NQO2SMN1; SMN2
SCHEMBL4772527 0.72 NQO2 (0.45) KDM4EPKMRCE1NQO2CFTR

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
CN-107001364-B Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-06-16 CN disclosed
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
EP-3230284-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-10-18 EP disclosed
CN-107001364-A The active tetracyclic of harmful organism is killed with sulfur-bearing substituent 先正达参股股份有限公司 2017-08-01 CN disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 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 (2 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-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE KDM4E 3650/4885PKM 1851/4885RCE1 2083/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE KDM4E 3650/4885PKM 1851/4885RCE1 2083/4885

“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.