SCHEMBL6833731

SCHEMBL6833731

O=C(O)c1cc(Br)ccc1NC(=O)c1nsc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 6/20 0.55
RXFP1 Q9HBX9 4/20 0.54
TP53 P04637 7/20 0.53
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL92531 0.77 MAPT (0.60) MAPTPOLBLMNARXFP1TP53
SCHEMBL6834329 0.77 HIF1A (0.60) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9513479 0.75 MAPT (0.80) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6773122 0.75 TP53 (0.72) MAPTPOLBLMNARXFP1TP53
SCHEMBL92533 0.75 MAPT (0.60) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL92534 0.74 MAPT (0.65) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL6818060 0.74 AKR1C2 (0.51) MAPTPOLBAKR1C4AKR1C3AKR1C2
SCHEMBL1307732 0.74 GFER (0.76) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1308599 0.73 CDK2 (0.61) MAPTPOLBLMNAAKR1C4AKR1C3
SCHEMBL7454304 0.73 TP53 (0.57) MAPTPOLBLMNARXFP1TP53

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 MAPT 4759/4885POLB 637/4885LMNA 3376/4885

“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.