SCHEMBL829953

SCHEMBL829953

COC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])N(C)C1NC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
EPOR P19235 3/20 0.34
PLG P00747 1/20 0.31
PRSS1 P07477 1/20 0.31
MLNR O43193 1/20 0.30
NR1I2 O75469 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
OPRK1 P41145 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PDE3A Q14432 1/20 0.30
ITGAL P20701 1/20 0.30
KDR P35968 1/20 0.30
FOLH1 Q04609 1/20 0.30
ADAM17 P78536 1/20 0.30
BMP1 P13497 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
SCHEMBL835862 0.79 F2 (0.42) F2ITGALKDRBMP1
SCHEMBL829954 0.79 F2 (0.42) F2ITGALKDRBMP1
SCHEMBL829955 0.79 F2 (0.42) F2ITGALKDRBMP1
SCHEMBL14223175 0.71 F2 (0.42) F2KDRBMP1
L-Name SCHEMBL29362113 0.69 NOS1 (0.41) F2ADAM17
L-Name SCHEMBL5966636 0.69 NOS1 (0.41) F2ADAM17
SCHEMBL8128053 0.69 F2 (0.42) F2ADAM17BMP1
SCHEMBL8122123 0.68 HDAC1 (0.42) F2CNR1BMP1
SCHEMBL8121876 0.67 F2 (0.37) F2PLGPRSS1CNR1OPRK1
SCHEMBL5966592 0.67 SSTR3 (0.47) BMP1

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-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
WO-2008046232-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION YUDIN ANDREI K (CA) 2008-04-24 WO 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 F2 728/4885EPOR 262/4885PLG 746/4885

“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.