SCHEMBL6353526

SCHEMBL6353526

O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.65
AKR1C1 Q04828 4/20 0.65
AKR1C4 P17516 2/20 0.65
AKR1C3 P42330 2/20 0.65
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 2/20 0.59
MAPT P10636 5/20 0.59
LMNA P02545 4/20 0.59
GRIK1 P39086 3/20 0.59
HTT P42858 3/20 0.59
ABL1 P00519 1/20 0.58
TSHR P16473 1/20 0.58
RIN1 Q13671 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GRIK2 Q13002 1/20 0.58

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
SCHEMBL6357874 0.94 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3NPC1
SCHEMBL6352294 0.91 AKR1C2 (0.70) AKR1C2AKR1C1AKR1C4AKR1C3NPC1
SCHEMBL5950059 0.91 MEN1 (0.73) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1307097 0.89 AKR1C2 (0.76) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6350354 0.88 AKR1C2 (0.67) AKR1C2AKR1C1AKR1C4AKR1C3NPC1
SCHEMBL6351451 0.86 MAPT (0.57) AKR1C2AKR1C1AKR1C4AKR1C3NPC1
SCHEMBL6352936 0.86 AKR1C2 (0.74) AKR1C2AKR1C1AKR1C4AKR1C3NPC1
SCHEMBL6349179 0.84 AKR1C2 (0.62) AKR1C2AKR1C1AKR1C4AKR1C3NPC1
SCHEMBL6347574 0.84 AKR1C2 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6350738 0.84 AKR1C2 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3RAB9A

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 AKR1C2 3012/4885AKR1C1 2615/4885AKR1C4 3065/4885

“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.