SCHEMBL6101808

SCHEMBL6101808

O=C1c2c(c(O)c3ncccc3c2O)C(=O)N1Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 4/20 0.40
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP1B1 Q16678 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
NPC1 O15118 2/20 0.39
CYP2D6 P10635 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
SCHEMBL4150453 0.88 CYP1A2 (0.54) HSP90AA1KDM4EKMT2AHTTTP53
SCHEMBL6100520 0.87 KCNN4 (0.47) HSP90AA1KDM4EMEN1KMT2AHTT
SCHEMBL6102631 0.87 CHRM5 (0.41) CYP1A2CYP2C19CHRM5CHRM1CHRM3
SCHEMBL6100747 0.82 TYR (0.37) KDM4EMEN1KMT2AHTTTDP1
SCHEMBL13943438 0.80 EP300 (0.42) HSP90AA1KDM4EMEN1KMT2AHTT
SCHEMBL6102273 0.79 MAPT (0.39) KDM4EMEN1KMT2ATDP1CYP1A2
SCHEMBL14260126 0.79 CYP1A2 (0.50) HSP90AA1KDM4EKMT2AHTTTP53
SCHEMBL4652185 0.79 CYP1A2 (0.50) HSP90AA1KDM4EKMT2AHTTTP53
SCHEMBL13943471 0.79 CYP1A2 (0.50) HSP90AA1KDM4EKMT2AHTTTP53
SCHEMBL6099645 0.78 HPGD (0.60) KDM4EMEN1KMT2AHTTSMN1; SMN2

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 HSP90AA1 3300/4885KDM4E 4133/4885MEN1 4634/4885

“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.