SCHEMBL18878186

SCHEMBL18878186

CNCc1cccc(COC)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
PRMT6 Q96LA8 6/20 0.47
NOS1 P29475 3/20 0.46
EPHX2 P34913 1/20 0.45
NOS3 P29474 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL487468 0.85 IDO1 (0.48) CYP3A4
SCHEMBL1697126 0.85 MAPT (0.64) HTR7KDM4ECYP3A4MAPTMRGPRX4
Hydrochloric Acid SCHEMBL3273205 0.83 MAPT (0.68) HTR7KDM4ECYP3A4MAPTMRGPRX4
SCHEMBL18884349 0.82 CYP3A4 (0.58) KDM4ECYP3A4MAPT
SCHEMBL18745617 0.82 NOS1 (0.46) HTR7NOS1NOS3
SCHEMBL8338395 0.79 MRGPRX4 (0.48) HTR7KDM4ECYP3A4MAPTMRGPRX4
SCHEMBL13930293 0.79 LOXL2 (0.50) HTR7KDM4ECYP3A4MAPTNOS1
SCHEMBL20795015 0.78 LTA4H (0.45)
SCHEMBL8441355 0.77 KDM4E (0.54) HTR7KDM4ECYP3A4MAPTMRGPRX4
SCHEMBL12305 0.77 TP53 (0.44) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 EP disclosed
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
EP-2826777-B1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INST IND TECH (KR) 2020-08-05 EP disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 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 (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-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 HTR7 4372/4885KDM4E 4025/4885CYP3A4 1294/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 HTR7 4372/4885KDM4E 4025/4885CYP3A4 1294/4885

“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.