SCHEMBL17865392

SCHEMBL17865392

CC(C)CNC(=O)c1ccc(CCOc2ccc(Cl)c(I)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.49
GPR84 Q9NQS5 1/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MLYCD O95822 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL17865394 0.83 HPGD (0.48) HPGDNPSR1KDM4EKMT2AMEN1
SCHEMBL17865382 0.78 KMT2A (0.51) HPGDNPSR1KDM4EKMT2AMEN1
SCHEMBL17865383 0.77 CYP2C9 (0.46) HPGDNPSR1KDM4EKMT2AMEN1
SCHEMBL17865381 0.76 HPGD (0.57) HPGDNPSR1MLYCDTRPV1PPARG
SCHEMBL17865388 0.76 NPSR1 (0.48) HPGDNPSR1KDM4EKMT2AMEN1
SCHEMBL17865384 0.75 ROCK2 (0.49) HPGDNPSR1KMT2AMEN1GAA
SCHEMBL17865385 0.75 HPGD (0.47) HPGDNPSR1KMT2AMEN1MAPT
SCHEMBL17865398 0.72 ACACB (0.47) HPGDNPSR1KMT2AMEN1GAA
SCHEMBL15839300 0.70 NPC1 (0.38) HPGDNPSR1KDM4EGPR84SMN1; SMN2
SCHEMBL17865390 0.70 MLYCD (0.58) HPGDNPSR1KDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10299475-B2 Pesticide ISHIHARA SANGYO KAISHA, LTD. (JP) 2019-05-28 US disclosed
US-20160192651-A1 PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-07-07 US disclosed
EP-3037408-A1 HARMFUL ORGANISM CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2016-06-29 EP 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-10299475-B2 Pesticide DDT, ACHE, KCNH1 HPGD 4335/4885NPSR1 1003/4885KDM4E 217/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 HPGD 4335/4885NPSR1 1003/4885KDM4E 217/4885

“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.