SCHEMBL4868613

SCHEMBL4868613

CCC1(C(=O)NCCN(O)C(=O)NCCC#N)C=CC(c2ccccc2)C=C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 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
SCHEMBL4868126 0.82 KDM1A (0.35) SIGMAR1USP2
SCHEMBL403197 0.81 SIGMAR1 (0.34) SIGMAR1
SCHEMBL4239580 0.75 KDM1A (0.34) SIGMAR1USP2
SCHEMBL4868618 0.72 ALDH1A1 (0.32)
SCHEMBL4871658 0.71 ACKR3 (0.47)
SCHEMBL2157188 0.68 CYP3A4 (0.36) SIGMAR1HSD17B10
SCHEMBL5650448 0.67 SMN1; SMN2 (0.42)
SCHEMBL402861 0.65 DRD2 (0.42) SIGMAR1
SCHEMBL403859 0.65 CSK (0.34)
SCHEMBL4878751 0.64 KDM1A (0.35) POLB

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS SIGMAR1 776/4885USP2 4316/4885HSD17B10 1050/4885

“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.