SCHEMBL11209775

SCHEMBL11209775

CN(C)C=Nc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 3/20 0.36
ALOX15 P16050 3/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 4/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL11209773 1.00 KMT2A (0.47) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL218110 0.76 ALDH1A1 (0.53) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL218111 0.76 ALDH1A1 (0.53) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL17761949 0.76 ALDH1A1 (0.53) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL17828618 0.74 ALDH1A1 (0.55) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6662201 0.73 S100B (0.62) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL48845 0.73 KMT2A (0.47) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL48844 0.73 KMT2A (0.47) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6659427 0.73 S100B (0.62) KMT2AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL10342089 0.71 KMT2A (0.50) KMT2AALDH1A1KDM4EHSD17B10MAPT

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-4259504-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-31 US claimed
US-20210147371-A1 OXADIAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 US disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 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 (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-20210147371-A1 OXADIAZOLINE DERIVATIVES DDT, FOXO3, PDCD4 KMT2A 3107/4885ALDH1A1 1210/4885KDM4E 1454/4885

“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.