SCHEMBL6707902

SCHEMBL6707902

COc1cccc2[nH]c(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
RCE1 Q9Y256 1/20 0.44
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
GRIK1 P39086 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 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
SCHEMBL6709317 0.89 KMT2A (0.51) KMT2AMEN1RCE1RAB9APOLB
SCHEMBL6708020 0.87 KMT2A (0.47) KMT2AMEN1RCE1RAB9APOLB
SCHEMBL6709158 0.83 KMT2A (0.47) KMT2AMEN1RCE1RAB9APOLB
SCHEMBL6707759 0.82 NPC1 (0.49) RAB9ANPC1GRIK1KDM4ELMNA
SCHEMBL6712124 0.81 KDM4E (0.47) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL6713512 0.81 KDM4E (0.56) KMT2ARAB9ANPC1MAPTKDM4E
SCHEMBL6710166 0.79 NPC1 (0.43) RAB9ANPC1HDAC2GRIK1LMNA
SCHEMBL6707838 0.78 CSNK1D (0.44) KMT2AMEN1POLBHDAC3HDAC1
SCHEMBL6710304 0.77 NSD2 (0.52) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL6711843 0.76 GRIK1 (0.51) KMT2AMEN1GRIK1GPR35

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 KMT2A 3181/4885MEN1 4100/4885RCE1 2631/4885

“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.