SCHEMBL6830592

SCHEMBL6830592

N#Cc1ccc(NC(=O)c2noc3cc(-c4ccccc4C(F)(F)F)ccc23)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CETP P11597 1/20 0.38
XDH P47989 2/20 0.38
SLC22A12 Q96S37 2/20 0.38
DHODH Q02127 2/20 0.37
AR P10275 1/20 0.37
HIF1A Q16665 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
ACP1 P24666 1/20 0.36
PRSS12 P56730 1/20 0.36
ALB P02768 1/20 0.36

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
Sulfuric Acid SCHEMBL6833366 0.97 EPHX2 (0.41) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL6834124 0.93 XDH (0.40) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL6818535 0.90 KMT2A (0.39) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL6818143 0.88 SMN1; SMN2 (0.38) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL6833249 0.87 MCL1 (0.41) MAPTKDM4CCETPXDHSLC22A12
SCHEMBL6814605 0.87 SMN1; SMN2 (0.35) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL6833104 0.86 HIF1A (0.49) XDHSLC22A12DHODHHIF1APRSS12
SCHEMBL6818868 0.86 KMT2A (0.38) EPHX2KMT2ANPC1RAB9AMEN1
SCHEMBL6818353 0.86 DHODH (0.37) KMT2ANPC1RAB9AMEN1CETP
SCHEMBL6818716 0.86 PDE10A (0.36) KMT2ANPC1RAB9AMEN1MAPT

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-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 EPHX2 2978/4885KMT2A 2853/4885NPC1 3778/4885

“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.