SCHEMBL6350744

SCHEMBL6350744

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.81
RAB9A P51151 6/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
NFKB1 P19838 4/20 0.81
NFKB2 Q00653 4/20 0.81
RELA Q04206 4/20 0.81
TP53 P04637 3/20 0.81
PKM P14618 3/20 0.81
MAPT P10636 4/20 0.70
MAOB P27338 1/20 0.70
POLB P06746 1/20 0.68
NAMPT P43490 1/20 0.65
HTR2C P28335 1/20 0.61
ROCK2 O75116 2/20 0.58
ROCK1 Q13464 2/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL4865198 0.91 MAPT (0.70) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL382910 0.90 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6350281 0.85 RAB9A (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28367238 0.85 NPC1 (0.79) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28367564 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12692434 0.84 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL15879125 0.84 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL19675330 0.84 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12692444 0.82 RAB9A (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6798342 0.82 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 NPC1 3512/4885RAB9A 3062/4885SMN1; 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.