SCHEMBL863012

SCHEMBL863012

COC(=O)[C@H](CCCN/C(N)=N/N=O)NCC1NC1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ANPEP P15144 1/20 0.32
TSHR P16473 1/20 0.32
C3AR1 Q16581 1/20 0.32
NPY1R P25929 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
POLB P06746 1/20 0.31
FURIN P09958 2/20 0.31
TPSAB1 Q15661 1/20 0.31
KDM1A O60341 1/20 0.31
ABCB1 P08183 1/20 0.31
EPOR P19235 1/20 0.30

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
SCHEMBL829955 0.86 F2 (0.42) BMP1CA1CA2TSHRC3AR1
SCHEMBL835862 0.86 F2 (0.42) BMP1CA1CA2TSHRC3AR1
SCHEMBL829954 0.86 F2 (0.42) BMP1CA1CA2TSHRC3AR1
SCHEMBL863187 0.74 ELANE (0.46) CA2ANPEP
SCHEMBL14223175 0.66 F2 (0.42) BMP1CA1CA2ANPEPTSHR
SCHEMBL836791 0.65 CAPN1 (0.38) ANPEP
SCHEMBL829953 0.65 F2 (0.38) BMP1EPOR
SCHEMBL836084 0.64 MMP1 (0.42)
SCHEMBL835828 0.63 MMP9 (0.50) KDM1A
SCHEMBL30925057 0.62 CA1 (0.56) CA1CA2C3AR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS BMP1 1363/4885CA1 1274/4885CA2 2149/4885

“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.