SCHEMBL6834124

SCHEMBL6834124

N#Cc1ccc(NC(=O)c2noc3ccc(-c4ccccc4C(F)(F)F)cc23)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.40
SLC22A12 Q96S37 2/20 0.40
CETP P11597 1/20 0.40
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 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
EPHX2 P34913 1/20 0.37
DHODH Q02127 2/20 0.37
AR P10275 1/20 0.37
HIF1A Q16665 3/20 0.37
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
SCHEMBL6830592 0.93 EPHX2 (0.43) XDHSLC22A12CETPKMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL6833366 0.90 EPHX2 (0.41) XDHSLC22A12CETPKMT2ASMN1; SMN2
SCHEMBL6818535 0.90 KMT2A (0.39) CETPKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6834680 0.89 ACMSD (0.43) XDHSLC22A12SMN1; SMN2HIF1APRSS12
SCHEMBL6818143 0.88 SMN1; SMN2 (0.38) CETPKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6833960 0.87 MCL1 (0.43) XDHSLC22A12CETPMAPTHIF1A
SCHEMBL6814605 0.87 SMN1; SMN2 (0.35) CETPKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6834186 0.86 HIF1A (0.49) XDHSLC22A12DHODHHIF1APRSS12
SCHEMBL6834495 0.86 HIF1A (0.41) HIF1APRSS12ALB
SCHEMBL6818353 0.86 DHODH (0.37) CETPKMT2ASMN1; SMN2NPC1RAB9A

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 XDH 127/4885SLC22A12 3996/4885CETP 4559/4885

“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.