SCHEMBL6100747

SCHEMBL6100747

O=C1c2c(c(O)c3nnccc3c2O)C(=O)N1Cc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.37
CHRM5 P08912 2/20 0.36
ACHE P22303 2/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6102521 0.86 KCNN4 (0.39) CA12CA9CA2MEN1KMT2A
SCHEMBL6101808 0.82 HSP90AA1 (0.40) TYRCHRM5ACHECHRM1CHRM3
SCHEMBL6102631 0.81 CHRM5 (0.41) TYRCHRM5ACHECHRM1CHRM3
SCHEMBL6102273 0.79 MAPT (0.39) CHRM5ACHECHRM1CHRM3CA12
SCHEMBL6101774 0.78 TSHR (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6100930 0.76 MAPT (0.37) CA12CA9CA1CA2CA7
SCHEMBL6101224 0.75 CASP3 (0.42) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL2288506 0.72 CASP3 (0.39) CA12CA9CA1CA2CA7
SCHEMBL4150453 0.70 CYP1A2 (0.54) KMT2AHTTKDM4EALDH1A1LMNA
SCHEMBL6100520 0.70 KCNN4 (0.47) CA12CA9CA2MEN1KMT2A

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 TYR 4794/4885CHRM5 782/4885ACHE 3598/4885

“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.