SCHEMBL4237233

SCHEMBL4237233

CCc1ccc(-c2ccc(C(=O)NCCNOC(=O)NCCCN)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MAPK8 P45983 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCHR1 Q99705 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLK1 P53350 1/20 0.40
POLB P06746 1/20 0.40
BRD4 O60885 2/20 0.40
GCGR P47871 1/20 0.40

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
SCHEMBL402118 0.87 RAB9A (0.50) HDAC3ALDH1A1TDP1NPC1RAB9A
SCHEMBL11981560 0.83 HDAC3 (0.57) HDAC3MAPK8ALDH1A1TDP1NPC1
SCHEMBL401126 0.81 LMNA (0.54) HDAC3ALDH1A1MCHR1NPC1RAB9A
SCHEMBL1096805 0.79 MEN1 (0.46) ALDH1A1TDP1MCHR1NPC1RAB9A
SCHEMBL404268 0.77 DRD2 (0.46) HDAC3DRD2DRD4DRD3MAPK8
SCHEMBL12141627 0.75 TSHR (0.64) HDAC3ALDH1A1TDP1NPC1RAB9A
SCHEMBL404814 0.74 MEN1 (0.40) DRD2DRD4DRD3ALDH1A1TDP1
SCHEMBL404935 0.74 PLK1 (0.54) HDAC3DRD2DRD4DRD3ALDH1A1
SCHEMBL14159023 0.73 CYP1A2 (0.63) MAPK8ALDH1A1NPC1RAB9A
SCHEMBL16492521 0.72 DRD2 (0.64) HDAC3DRD2DRD4DRD3MAPK8

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 HDAC3 2114/4885DRD2 3836/4885DRD4 2755/4885

“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.