SCHEMBL6101296

SCHEMBL6101296

O=C1c2c(c(OCCCc3ccccc3)c3nccnc3c2O)C(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 3/20 0.46
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
CMA1 P23946 1/20 0.42
SCN9A Q15858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CALM1 P0DP23 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PRKCE Q02156 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL6102070 0.85 HPGD (0.45) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL5768586 0.85 HPGD (0.58) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL6098751 0.83 HPGD (0.46) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL6101523 0.81 HPGD (0.44) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL6101454 0.79 HPGD (0.42) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL6101780 0.78 HPGD (0.44) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL6099645 0.77 HPGD (0.60) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL6101859 0.77 SMN1; SMN2 (0.44) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL6101318 0.77 ALDH1A1 (0.45) PKMKMT2ASMN1; SMN2TSHRHPGD
SCHEMBL6101896 0.75 TSHR (0.52) PKMKMT2ASMN1; SMN2TSHRHPGD

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 PKM 2808/4885KMT2A 1121/4885SMN1; SMN2 3615/4885

“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.