SCHEMBL6818302

SCHEMBL6818302

Cc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.58
SMYD3 Q9H7B4 2/20 0.44
SETD2 Q9BYW2 2/20 0.44
ALB P02768 1/20 0.43
HRH4 Q9H3N8 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GFER P55789 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NHERF1 O14745 1/20 0.40

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
SCHEMBL6833137 0.88 MAP3K5 (0.44) NSD2ALBKMT2APOLBRXFP1
SCHEMBL6833085 0.87 ALB (0.43) NSD2ALBHRH4HDAC3HDAC1
SCHEMBL6830559 0.87 NHERF1 (0.45) NSD2ALBHRH4NHERF1
SCHEMBL6834154 0.86 KMT2A (0.49) ALBKMT2AMEN1NPC1RAB9A
SCHEMBL6830741 0.85 ALDH1A1 (0.47) NSD2ALBHDAC3HDAC1KMT2A
SCHEMBL6830151 0.85 ALB (0.42) NSD2ALBKMT2APOLBRXFP1
SCHEMBL6834115 0.85 ALB (0.47) ALBKMT2AMEN1GFERRXFP1
SCHEMBL6835708 0.85 CCKAR (0.51) NPC1RAB9ANHERF1
SCHEMBL6834385 0.84 SERPINE1 (0.51) ALBKMT2ANPC1RAB9ARXFP1
SCHEMBL6830877 0.84 AKR1C2 (0.48) ALBKMT2AMEN1RXFP1NHERF1

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 disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 NSD2 3447/4885SMYD3 2513/4885SETD2 3369/4885

“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.