SCHEMBL6830668

SCHEMBL6830668

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(SC2CCOCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.47
KCNK2 O95069 2/20 0.47
KCNK10 P57789 2/20 0.47
ALB P02768 2/20 0.46
AKR1C2 P52895 4/20 0.46
AKR1C1 Q04828 4/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABL1 P00519 1/20 0.41
TSHR P16473 1/20 0.41
RIN1 Q13671 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DHODH Q02127 1/20 0.40
STING1 Q86WV6 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DNMT3A Q9Y6K1 2/20 0.38

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
SCHEMBL6835660 0.90 KCNK2 (0.48) SERPINE1KCNK2KCNK10ALBAKR1C2
SCHEMBL6834262 0.86 ALB (0.58) SERPINE1ALBMEN1KMT2ANPC1
SCHEMBL6818067 0.79 NPC1 (0.61) KCNK2KCNK10ALBAKR1C2AKR1C1
SCHEMBL6833717 0.77 ALB (0.60) SERPINE1ALBMEN1KMT2ANPC1
SCHEMBL6830657 0.76 ALB (0.59) SERPINE1ALBMEN1KMT2ANPC1
SCHEMBL6353739 0.74 SERPINE1 (0.53) SERPINE1KCNK2KCNK10ALBAKR1C2
SCHEMBL17166275 0.73 AKR1C2 (0.73) SERPINE1KCNK2KCNK10AKR1C2AKR1C1
SCHEMBL6813815 0.72 PLK1 (0.57) KCNK2KCNK10ALBAKR1C2AKR1C1
SCHEMBL6833894 0.72 ALB (0.77) KCNK2KCNK10ALBAKR1C2AKR1C1
SCHEMBL6348189 0.71 AKR1C2 (0.49) SERPINE1KCNK2KCNK10ALBAKR1C2

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 SERPINE1 1860/4885KCNK2 3090/4885KCNK10 3434/4885

“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.