SCHEMBL17865388

SCHEMBL17865388

CC(C)CNC(=O)c1ccc(CCOc2ccc3c(c2)OC(F)(F)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
MLYCD O95822 1/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
HCRTR2 O43614 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ROCK2 O75116 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL17865380 0.81 MRGPRX4 (0.62) MRGPRX4
SCHEMBL17865386 0.81 MRGPRX4 (0.48) MRGPRX4KMT2AMEN1MAPTHSD17B10
SCHEMBL17865381 0.76 HPGD (0.57) NPSR1HPGDMLYCDPPARGPPARA
SCHEMBL17865392 0.76 HPGD (0.52) NPSR1HPGDMLYCDKMT2AMEN1
SCHEMBL17865382 0.75 KMT2A (0.51) NPSR1HPGDKMT2AMEN1KDM4E
SCHEMBL17865384 0.75 ROCK2 (0.49) NPSR1HPGDMLYCDKMT2AMEN1
SCHEMBL17865385 0.75 HPGD (0.47) NPSR1HPGDKMT2AMEN1MAPT
SCHEMBL17865394 0.73 HPGD (0.48) NPSR1HPGDKMT2AMEN1MAPT
SCHEMBL17865398 0.72 ACACB (0.47) NPSR1HPGDKMT2AMEN1GAA
SCHEMBL28445069 0.70 LMNA (0.58) KMT2AMEN1MAPTROCK2HTT

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 NPSR1 1003/4885HPGD 4335/4885MRGPRX4 820/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 NPSR1 1003/4885HPGD 4335/4885MRGPRX4 820/4885

“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.