SCHEMBL6835773

SCHEMBL6835773

O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(-c2ccccc2F)on1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
RAB9A P51151 4/20 0.52
HSD17B10 Q99714 4/20 0.52
NPC1 O15118 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
SCD5 Q86SK9 1/20 0.51
TP53 P04637 1/20 0.48
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL6830546 0.89 KMT2A (0.53) KMT2AMEN1RAB9AHSD17B10NPC1
SCHEMBL6833101 0.88 KMT2A (0.53) KMT2AMEN1RAB9AHSD17B10NPC1
SCHEMBL6833804 0.88 NPC1 (0.57) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6817565 0.86 KMT2A (0.60) KMT2AMEN1RAB9AHSD17B10NPC1
SCHEMBL6813965 0.85 MEN1 (0.72) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6830647 0.84 KMT2A (0.49) KMT2AMEN1RAB9AHSD17B10NPC1
SCHEMBL6830650 0.84 HSD17B10 (0.65) KMT2AMEN1RAB9AHSD17B10NPC1
SCHEMBL6834132 0.82 NPC1 (0.57) KMT2AMEN1RAB9AHSD17B10NPC1
SCHEMBL6813720 0.77 MEN1 (0.55) KMT2AMEN1RAB9ANPC1NPSR1
SCHEMBL6833999 0.77 NPC1 (0.61) KMT2AMEN1RAB9ANPC1ALDH1A1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KMT2A 2853/4885MEN1 4132/4885RAB9A 4337/4885

“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.