SCHEMBL6830508

SCHEMBL6830508

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)c4cccs4)c3[nH]2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALB P02768 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
NHERF1 O14745 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
DHPS P49366 1/20 0.38

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
SCHEMBL6834462 0.87 MEN1 (0.42) MEN1KMT2AL3MBTL1ALB
SCHEMBL6834154 0.86 KMT2A (0.49) NPC1RAB9AMEN1KMT2AALB
SCHEMBL6833137 0.85 MAP3K5 (0.44) KMT2AALBRXFP1NHERF1
SCHEMBL6834115 0.85 ALB (0.47) MEN1KMT2AALBRXFP1TSHR
SCHEMBL6835708 0.85 CCKAR (0.51) NPC1RAB9ANHERF1
SCHEMBL6834385 0.84 SERPINE1 (0.51) NPC1RAB9AKMT2AALBRXFP1
SCHEMBL6830877 0.84 AKR1C2 (0.48) MEN1KMT2AALBRXFP1TSHR
SCHEMBL6833897 0.83 ALB (0.42) KMT2AALBRXFP1HDAC3HDAC1
SCHEMBL6835688 0.83 GFER (0.45) NPC1ALBRXFP1NHERF1
SCHEMBL6830151 0.83 ALB (0.42) KMT2AALBRXFP1NHERF1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 NPC1 3778/4885RAB9A 4337/4885MEN1 4132/4885

“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.