SCHEMBL6350281

SCHEMBL6350281

COC(=O)c1ccc(NC(=O)N2CCc3ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.78
NPC1 O15118 6/20 0.78
SMN1; SMN2 Q16637 6/20 0.78
TP53 P04637 3/20 0.78
POLB P06746 1/20 0.78
NFKB1 P19838 4/20 0.77
NFKB2 Q00653 4/20 0.77
RELA Q04206 4/20 0.77
MAPT P10636 4/20 0.77
PKM P14618 3/20 0.77
MAOB P27338 1/20 0.77
NAMPT P43490 2/20 0.62
HTR2C P28335 1/20 0.57
LMNA P02545 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
USP2 O75604 1/20 0.55
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55

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
SCHEMBL4861742 0.91 MAPT (0.72) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL12692444 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL6350744 0.85 NPC1 (0.81) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL28367564 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL382910 0.83 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL12692514 0.83 NPC1 (0.74) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL28367238 0.82 NPC1 (0.79) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL20047285 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL12692434 0.81 NPC1 (0.78) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL19675330 0.81 NPC1 (0.78) RAB9ANPC1SMN1; SMN2TP53POLB

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 RAB9A 3062/4885NPC1 3512/4885SMN1; SMN2 3015/4885

“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.