SCHEMBL18878205

SCHEMBL18878205

COC(=O)CN(C)CC#N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.37
DPP4 P27487 2/20 0.35
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.33
ELANE P08246 1/20 0.33
MCL1 Q07820 1/20 0.31

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
SCHEMBL8378681 0.79 KMT2A (0.54) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL22593421 0.78 TSHR (0.38) KMT2AMEN1ALDH1A1TSHRDPP4
SCHEMBL18884398 0.78 TSHR (0.36) KMT2AMEN1ALDH1A1TSHRDPP4
SCHEMBL29952584 0.76
SCHEMBL18721344 0.74
SCHEMBL10260566 0.73
SCHEMBL30740909 0.72 MCL1 (0.38) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL28649283 0.71 TSHR (0.42) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL11177575 0.71 MGAM (0.50) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL9703018 0.71 KMT2A (0.46) KMT2AMEN1TSHRHSD17B10MGAM

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
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 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 (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-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KMT2A 4011/4885MEN1 2850/4885ALDH1A1 1574/4885

“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.