SCHEMBL4239580

SCHEMBL4239580

CCC1(C(=O)NCCN(O)C(=O)NC2CCCC(N)C2)C=CC(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
PBK Q96KB5 1/20 0.34
MC4R P32245 4/20 0.34
MC5R P33032 4/20 0.34
MC3R P41968 4/20 0.34
USP2 O75604 1/20 0.33
CHRM3 P20309 1/20 0.32
TRPM8 Q7Z2W7 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
BTK Q06187 4/20 0.31
PKM P14618 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 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 0.88 KDM1A (0.35) KDM1AUSP2SIGMAR1PKM
SCHEMBL403197 0.77 SIGMAR1 (0.34) SIGMAR1
SCHEMBL4868613 0.75 SIGMAR1 (0.31) USP2SIGMAR1
SCHEMBL404815 0.71 CA12 (0.41) CA12CA9
SCHEMBL4871658 0.70 ACKR3 (0.47) KDM1APKM
SCHEMBL2157188 0.63 CYP3A4 (0.36) KDM1ASIGMAR1
SCHEMBL403859 0.63 CSK (0.34)
SCHEMBL4868131 0.63 MEN1 (0.33) KDM1APKM
SCHEMBL5650448 0.63 SMN1; SMN2 (0.42)
SCHEMBL24632311 0.63 GRM5 (0.62) KDM1APBKPKM

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-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KDM1A 4512/4885PBK 2047/4885MC4R 4372/4885

“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.