SCHEMBL20100086

SCHEMBL20100086

CON(C)C(=O)c1nc2ccccn2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 2/20 0.45
THRB P10828 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL2038636 0.85 ALDH1A1 (0.49) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL19135994 0.83 ALDH1A1 (0.49) ALDH1A1GAAKDM4EHPGDPTGS1
SCHEMBL29756297 0.80 ALDH1A1 (0.44) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL286358 0.80 ALDH1A1 (0.71) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL17810146 0.78 ALDH1A1 (0.39) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL20100081 0.77 ALDH1A1 (0.68) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL8352177 0.77 ALDH1A1 (0.68) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL2036111 0.76 TRPM8 (0.49) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL15924279 0.76 ALDH1A1 (0.70) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL872190 0.74 PTGS1 (0.68) ALDH1A1GAAKDM4EHPGDPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 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-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS ALDH1A1 987/4885GAA 3534/4885KDM4E 1838/4885

“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.