SCHEMBL6707722

SCHEMBL6707722

Cc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.50
RXFP1 Q9HBX9 2/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMYD3 Q9H7B4 2/20 0.41
SETD2 Q9BYW2 3/20 0.41
GPR35 Q9HC97 5/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
DHODH Q02127 1/20 0.38
HRH4 Q9H3N8 3/20 0.37

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
SCHEMBL6707953 0.89 MAP3K5 (0.45) NSD2RXFP1HIF1ANPSR1POLB
SCHEMBL6713465 0.89 GPR35 (0.43) RXFP1HIF1ANPSR1GPR35DHODH
SCHEMBL6709089 0.89 RXFP1 (0.38) NSD2RXFP1HIF1ANPSR1POLB
SCHEMBL6707909 0.89 MAP3K5 (0.41) NSD2RXFP1HIF1ANPSR1POLB
SCHEMBL6710194 0.89 NSD2 (0.50) NSD2RXFP1MEN1NPC1POLB
SCHEMBL6711741 0.87 HIF1A (0.47) NSD2RXFP1HIF1ANPSR1MEN1
SCHEMBL6710064 0.87 ALDH1A1 (0.40) NSD2RXFP1HIF1ANPSR1MEN1
SCHEMBL6710241 0.86 GPR35 (0.43) NSD2RXFP1HIF1ANPSR1POLB
SCHEMBL6710138 0.86 NSD2 (0.47) NSD2RXFP1MEN1NPC1POLB
SCHEMBL6711486 0.86 NPC1 (0.42) RXFP1HIF1ANPSR1NPC1RAB9A

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 NSD2 3824/4885RXFP1 3836/4885HIF1A 296/4885

“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.