SCHEMBL6707620

SCHEMBL6707620

O=C(Cc1ccccc1)Nc1ccc2onc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
SRC P12931 1/20 0.38
HIF1A Q16665 4/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TTK P33981 1/20 0.36
MAPT P10636 1/20 0.35
AURKB Q96GD4 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
SCHEMBL6713870 0.91 HIF1A (0.43) AURKAMEN1KMT2AHIF1AHSD17B10
SCHEMBL6710273 0.89 HIF1A (0.44) MEN1KMT2AHIF1AALDH1A1MAPT
SCHEMBL6714137 0.88 LMNA (0.43) AURKAMEN1KMT2AHIF1AHSD17B10
SCHEMBL6713076 0.87 AURKA (0.35) AURKAMEN1KMT2AHIF1AAURKB
SCHEMBL6707712 0.86 MEN1 (0.41) AURKAMEN1KMT2ASRCHIF1A
SCHEMBL6714053 0.86 EGFR (0.41) HIF1AALDH1A1L3MBTL1KDM4E
SCHEMBL6709217 0.86 HIF1A (0.38) MEN1KMT2AHIF1AALDH1A1MAPT
SCHEMBL6710349 0.85 HIF1A (0.38) MEN1KMT2AHIF1AALDH1A1LMNA
SCHEMBL6713659 0.84 HIF1A (0.45) MEN1KMT2AHIF1AALDH1A1LMNA
SCHEMBL6708030 0.84 ALDH1A1 (0.39) MEN1KMT2AHIF1AALDH1A1GAA

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 AURKA 3954/4885MEN1 4100/4885KMT2A 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.