SCHEMBL6817565

SCHEMBL6817565

O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(-c2ccccc2C(F)(F)F)on1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.60
RAB9A P51151 7/20 0.60
NPC1 O15118 6/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 8/20 0.54
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
XBP1 P17861 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.47
KCNK2 O95069 1/20 0.46
KCNK10 P57789 1/20 0.46
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6821659 0.90 NPC1 (0.62) KMT2ARAB9ANPC1TSHRSMN1; SMN2
SCHEMBL6835773 0.86 KMT2A (0.54) KMT2ARAB9ANPC1TSHRSMN1; SMN2
SCHEMBL6818899 0.85 KMT2A (0.57) KMT2ARAB9ANPC1TSHRSMN1; SMN2
SCHEMBL6833804 0.85 NPC1 (0.57) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6834132 0.83 NPC1 (0.57) KMT2ARAB9ANPC1TSHRSMN1; SMN2
SCHEMBL6813965 0.82 MEN1 (0.72) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6834206 0.82 KCNK2 (0.44) KMT2ARAB9ANPC1TSHRSMN1; SMN2
SCHEMBL6830650 0.82 HSD17B10 (0.65) KMT2ARAB9ANPC1TSHRSMN1; SMN2
SCHEMBL6813720 0.81 MEN1 (0.55) KMT2ARAB9ANPC1MEN1MAPT
SCHEMBL1307523 0.79 MEN1 (0.59) KMT2ATSHRSMN1; SMN2MEN1MAPT

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 KMT2A 2853/4885RAB9A 4337/4885NPC1 3778/4885

“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.