SCHEMBL6821776

SCHEMBL6821776

N#Cc1ccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)on2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
XBP1 P17861 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ACR P10323 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
FAAH O00519 1/20 0.48
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
SCD O00767 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.45
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44

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
SCHEMBL6813729 0.87 TDP1 (0.55) NPC1RAB9AMEN1MAPTXBP1
SCHEMBL6818261 0.85 THRB (0.56) NPC1RAB9AMEN1MAPTXBP1
SCHEMBL6813720 0.85 MEN1 (0.55) NPC1RAB9AMEN1MAPTXBP1
SCHEMBL6818740 0.84 RXFP1 (0.71) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL6814522 0.83 NPC1 (0.47) NPC1RAB9AMEN1MAPTXBP1
SCHEMBL6818899 0.82 KMT2A (0.57) NPC1RAB9AMEN1MAPTXBP1
SCHEMBL6833729 0.80 NPC1 (0.61) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL6833885 0.80 TDP1 (0.49) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL6830647 0.79 KMT2A (0.49) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL6833875 0.78 KDM4E (0.52) NPC1RAB9AMAPTKMT2ARXFP1

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 disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES 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-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.