SCHEMBL6833920

SCHEMBL6833920

Cn1cccc1-c1cnc(C(=O)Nc2ccc(Br)cc2C(=O)O)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.44
AKR1C1 Q04828 3/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
STING1 Q86WV6 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
ABL1 P00519 1/20 0.39
TSHR P16473 1/20 0.39
RIN1 Q13671 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ALB P02768 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39

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
SCHEMBL6833738 0.85 ALB (0.41) KMT2AALBTUBB4ATUBBTUBA3C
SCHEMBL6830685 0.82 TUBB4A (0.58) AKR1C2AKR1C1AKR1C4AKR1C3STING1
SCHEMBL6830399 0.79 AKR1C2 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3STING1
SCHEMBL6830632 0.77 HDAC1 (0.51) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834025 0.77 HDAC1 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3STING1
SCHEMBL6833263 0.77 HDAC6 (0.51) AKR1C2AKR1C1AKR1C4AKR1C3STING1
SCHEMBL6834625 0.77 HDAC1 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6834206 0.75 KCNK2 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3STING1
SCHEMBL6833148 0.75 NPC1 (0.51) AKR1C2AKR1C1AKR1C4AKR1C3STING1
SCHEMBL6834004 0.75 TUBB4A (0.44) AKR1C2AKR1C1AKR1C4AKR1C3STING1

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 AKR1C2 2596/4885AKR1C1 2161/4885AKR1C4 2813/4885

“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.