SCHEMBL6833859

SCHEMBL6833859

N#Cc1ccc(NC(=O)c2ccccn2)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.61
PYGL P06737 2/20 0.53
PYGM P11217 2/20 0.53
MAOB P27338 1/20 0.53
HDAC1 Q13547 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL6834011 0.85 MEN1 (0.51) PYGLPYGMHDAC1NPC1GAA
SCHEMBL6835589 0.83 PYGL (0.50) PYGLPYGMNPC1RAB9AKMT2A
SCHEMBL6353963 0.82 KMT2A (0.62) MAPTKMT2AALDH1A1HTT
SCHEMBL6834125 0.82 PYGL (0.55) GRM4PYGLPYGMMAOBHDAC1
SCHEMBL6833128 0.81 GRM5 (0.44) GRM4PYGLPYGMNPC1MAPT
SCHEMBL6834161 0.81 PPARG (0.44) PYGLPYGMMAPTKMT2AHTT
SCHEMBL6833642 0.81 RAB9A (0.67) HDAC1NPC1GAAMAPTNFKB1
SCHEMBL11463194 0.81 MEN1 (0.46) GRM4KMT2AKDM4EHTT
SCHEMBL6834682 0.80 SORT1 (0.60) GRM4PYGLPYGMHDAC1NPC1
SCHEMBL6833934 0.80 KMT2A (0.47) PYGLPYGMNFKB1NFKB2RELA

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 GRM4 4521/4885PYGL 3759/4885PYGM 4260/4885

“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.