SCHEMBL6834019

SCHEMBL6834019

O=C(Nc1ccc(Br)cc1C(=O)O)c1nnc(SCc2ccccc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
GAA P10253 1/20 0.46
HDAC1 Q13547 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AURKA O14965 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
NPC1 O15118 1/20 0.44
TTR P02766 1/20 0.43
TNF P01375 1/20 0.43
PLA2G1B P04054 1/20 0.43
NOD2 Q9HC29 1/20 0.43

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
SCHEMBL6932947 0.82 POLB (0.52) KDM4EMAPTAKR1C2AKR1C1AKR1C4
SCHEMBL6833355 0.78 ABL1 (0.50) HPGDKDM4EALDH1A1MAPTAKR1C2
SCHEMBL6926558 0.78 MEN1 (0.48) KDM4EMAPTAKR1C2AKR1C1AKR1C4
SCHEMBL6933488 0.76 AKR1C2 (0.52) KDM4EMAPTAKR1C2AKR1C1AKR1C4
SCHEMBL6350712 0.75 AKR1C2 (0.63) HPGDKDM4EALDH1A1MAPTAKR1C2
SCHEMBL6835614 0.75 MEN1 (0.47) KDM4EMAPTAKR1C2AKR1C1AKR1C4
SCHEMBL6819149 0.75 AKR1C2 (0.54) HPGDALDH1A1MAPTAKR1C2AKR1C1
SCHEMBL6834451 0.75 STING1 (0.48) ALDH1A1MAPTAKR1C2AKR1C1AKR1C4
SCHEMBL6833834 0.74 MEN1 (0.47) KDM4EALDH1A1MAPTAKR1C2AKR1C1
SCHEMBL6833251 0.74 MEN1 (0.47) KDM4EMAPTAKR1C2AKR1C1AKR1C4

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 HPGD 1657/4885KDM4E 1240/4885ALDH1A1 170/4885

“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.