SCHEMBL6818878

SCHEMBL6818878

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.56
TRPA1 O75762 1/20 0.53
MCL1 Q07820 1/20 0.51
GRM4 Q14833 1/20 0.48
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
PHGDH O43175 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK1 Q13464 1/20 0.44
KDM1A O60341 2/20 0.43
CNR2 P34972 1/20 0.42
LCK P06239 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL6833427 0.93 ALB (0.50) ALBTRPA1MCL1GRM4LMNA
SCHEMBL6830673 0.88 TRPA1 (0.46) ALBTRPA1MCL1GRM4LMNA
SCHEMBL6834434 0.86 CNR2 (0.50) ALBTRPA1KDM1ACNR2
SCHEMBL6833926 0.86 ALB (0.46) ALBTRPA1MCL1PHGDHKMT2A
SCHEMBL6833794 0.86 CNR2 (0.47) ALBTRPA1KDM1ACNR2
SCHEMBL6835700 0.85 CNR2 (0.48) ALBTRPA1MCL1KDM1ACNR2
SCHEMBL6834180 0.85 CNR2 (0.53) ALBTRPA1CNR2
SCHEMBL6833879 0.84 LMNA (0.43) ALBTRPA1MCL1LMNATP53
SCHEMBL6835702 0.84 MAPT (0.47) ALBLMNATP53MAPT
SCHEMBL6818253 0.84 ROCK2 (0.42) ALBTRPA1GRM4LMNATP53

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 3 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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 ALB 1417/4885TRPA1 377/4885MCL1 2086/4885

“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.