SCHEMBL21156935

SCHEMBL21156935

CC(C)CCCCc1ccc(-n2ccnn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.54
CYP19A1 P11511 1/20 0.48
BRS3 P32247 1/20 0.46
USP1 O94782 6/20 0.38
WDR48 Q8TAF3 4/20 0.38
USP7 Q93009 1/20 0.38
KEAP1 Q14145 1/20 0.36
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL14567879 0.83 CYP19A1 (0.63) NOTUMCYP19A1BRS3
SCHEMBL13527241 0.82 CYP19A1 (0.61) NOTUMCYP19A1BRS3
SCHEMBL4966052 0.80 NOTUM (0.50) NOTUMCYP19A1BRS3KEAP1
SCHEMBL17297776 0.80 NOTUM (0.62) NOTUMCYP19A1BRS3USP1WDR48
SCHEMBL9969482 0.79 NOTUM (0.50) NOTUMCYP19A1BRS3USP1WDR48
SCHEMBL6853891 0.78 NOTUM (0.51) NOTUMCYP19A1BRS3KEAP1
SCHEMBL4970815 0.78 NOTUM (0.51) NOTUMCYP19A1BRS3KEAP1
SCHEMBL21156444 0.78 CYP19A1 (0.74) NOTUMCYP19A1BRS3KDM5B
SCHEMBL12844428 0.78 CYP19A1 (0.59) NOTUMCYP19A1BRS3USP1WDR48
SCHEMBL21157743 0.75 BCHE (0.42) NOTUM

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 NOTUM 3719/4885CYP19A1 709/4885BRS3 794/4885

“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.