SCHEMBL6833355

SCHEMBL6833355

O=C(Nc1ccc(Br)cc1C(=O)O)c1nnc(SCc2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.50
SRC P12931 6/20 0.50
HPGD P15428 3/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
FFAR1 O14842 1/20 0.46
MAPK1 P28482 1/20 0.46
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
TNF P01375 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
SCHEMBL6834585 0.86 LMNA (0.47) ABL1SRCHPGDLMNAMEN1
SCHEMBL6834019 0.78 HPGD (0.52) HPGDMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6933488 0.77 AKR1C2 (0.52) ABL1MEN1KMT2AKDM4EAKR1C4
SCHEMBL6926558 0.77 MEN1 (0.48) ABL1MEN1KMT2AKDM4EAKR1C4
SCHEMBL6350712 0.76 AKR1C2 (0.63) ABL1HPGDLMNAMEN1KMT2A
SCHEMBL6835614 0.76 MEN1 (0.47) ABL1MEN1KMT2AKDM4EAKR1C4
SCHEMBL6834451 0.76 STING1 (0.48) MEN1KMT2AALDH1A1AKR1C4AKR1C3
SCHEMBL6819149 0.76 AKR1C2 (0.54) ABL1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6833834 0.75 MEN1 (0.47) ABL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6833251 0.75 MEN1 (0.47) ABL1MEN1KMT2AKDM4EAKR1C4

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 ABL1 339/4885SRC 2574/4885HPGD 1657/4885

“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.