SCHEMBL6830653

SCHEMBL6830653

Cc1noc(-c2ccccc2)c1C(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NSD2 O96028 1/20 0.38
ALB P02768 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NHERF1 O14745 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL7124720 0.89 TRPA1 (0.41) TRPA1ALDH1A1POLBKMT2AMEN1
SCHEMBL6710153 0.86 TRPA1 (0.43) TRPA1ALDH1A1POLBKMT2AMEN1
SCHEMBL6713877 0.86 TRPA1 (0.43) TRPA1ALDH1A1POLBKMT2AMEN1
SCHEMBL6833424 0.84 TDP1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6834385 0.83 SERPINE1 (0.51) KMT2AALBNR1H4NHERF1
SCHEMBL6834154 0.82 KMT2A (0.49) KMT2AMEN1ALBNR1H4NHERF1
SCHEMBL6833137 0.81 MAP3K5 (0.44) POLBKMT2ANSD2ALBNR1H4
SCHEMBL6835708 0.80 CCKAR (0.51) LMNASMN1; SMN2NHERF1
SCHEMBL6833284 0.79 PKM (0.39) ALDH1A1POLBKMT2AMEN1NSD2
SCHEMBL6835564 0.79 RXFP1 (0.42) POLBKMT2AALBNR1H4NHERF1

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 TRPA1 377/4885ALDH1A1 170/4885POLB 637/4885

“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.