SCHEMBL26328857

SCHEMBL26328857

COC(=O)Cc1nnc(C)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
HTT P42858 1/20 0.43
HSP90AB1 P08238 1/20 0.39
TSHR P16473 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PKM P14618 1/20 0.35
ATM Q13315 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
SCHEMBL25440304 0.78 HSD17B10 (0.40) HSD17B10HTTHSP90AB1TSHRCYP4F2
SCHEMBL21557857 0.77 HSP90AB1 (0.42) HSD17B10HTTHSP90AB1TSHRCYP4F2
SCHEMBL22016826 0.73 HTT (0.52) HTTCA2ALDH1A1L3MBTL1
SCHEMBL12457570 0.71 HSP90AB1 (0.41) HSD17B10HTTHSP90AB1TSHRCYP4F2
SCHEMBL11714467 0.70 HSP90AB1 (0.44) HSD17B10HTTHSP90AB1TSHRCYP4F2
SCHEMBL19268378 0.69 CA12 (0.69) HSD17B10HTTCA12CA1CA2
SCHEMBL4651342 0.69 ALDH1A1 (0.51) HSD17B10ALDH1A1KDM4EUSP2MAPT
SCHEMBL16425168 0.68 HSD17B10 (0.39) HSD17B10HTTHSP90AB1ALDH1A1KDM4E
SCHEMBL13807578 0.68 MAPT (0.42) HSD17B10HTTHSP90AB1CA12CA1
SCHEMBL13799643 0.67 KDM4E (0.41) HSD17B10HTTHSP90AB1ALDH1A1KDM4E

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-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 HSD17B10 616/4885HTT 1626/4885HSP90AB1 4642/4885

“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.