SCHEMBL6709998

SCHEMBL6709998

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CCC4)c3[nH]2)c(-c2nnn[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
ABL1 P00519 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
USP30 Q70CQ3 1/20 0.33
PARP14 Q460N5 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP3K5 Q99683 1/20 0.32
GSK3A P49840 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
GPR35 Q9HC97 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL6711770 0.98 GSK3B (0.37) GSK3BABL1KMT2AALDH1A1RXFP1
SCHEMBL6713895 0.98 GSK3B (0.37) GSK3BABL1ALDH1A1RXFP1NPC1
SCHEMBL6709971 0.97 GSK3B (0.40) GSK3BABL1RXFP1PARP14MAP3K5
SCHEMBL6708999 0.90 RORC (0.34) GSK3BABL1MAP3K5PKM
SCHEMBL6710268 0.90 JAK2 (0.36) GSK3BMAP3K5PKM
SCHEMBL6710288 0.90 JAK2 (0.36) GSK3BMAP3K5PKM
SCHEMBL6710276 0.90 JAK2 (0.36) GSK3BMAP3K5PKM
SCHEMBL6713856 0.88 PLCG2 (0.38) GSK3BKMT2AALDH1A1PARP14NPC1
SCHEMBL6713992 0.88 GPR35 (0.42) ALDH1A1RXFP1PARP14MAP3K5TP53
SCHEMBL6710137 0.87 KMT2A (0.43) KMT2APARP14NPC1RAB9ASMN1; SMN2

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GSK3B 4467/4885ABL1 344/4885KMT2A 3181/4885

“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.