SCHEMBL6357745

SCHEMBL6357745

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.78
AKR1C2 P52895 4/20 0.71
AKR1C1 Q04828 4/20 0.71
AKR1C4 P17516 1/20 0.71
AKR1C3 P42330 1/20 0.71
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 3/20 0.60
ABL1 P00519 1/20 0.60
TSHR P16473 1/20 0.60
RIN1 Q13671 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
KCNK2 O95069 1/20 0.57
KCNK10 P57789 1/20 0.57
KDM4E B2RXH2 1/20 0.56
DNMT3A Q9Y6K1 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NR1H4 Q96RI1 1/20 0.55
SLC16A3 O15427 1/20 0.55

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
SCHEMBL18120563 0.88 DHODH (1.00) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL19554260 0.87 DHODH (0.67) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL9513479 0.86 MAPT (0.80) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL17166275 0.85 AKR1C2 (0.73) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL8044197 0.84 DHODH (0.79) DHODHMEN1KMT2AKDM4ENPC1
SCHEMBL19554148 0.84 DHODH (0.70) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6350875 0.83 AKR1C2 (1.00) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6357922 0.83 MAPT (0.81) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6353351 0.83 SERPINE1 (0.71) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6355650 0.83 AKR1C2 (0.84) DHODHAKR1C2AKR1C1AKR1C4AKR1C3

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed

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 DHODH 49/4885AKR1C2 3012/4885AKR1C1 2615/4885

“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.