SCHEMBL6015138

SCHEMBL6015138

O=C(O)CC(c1ccccc1)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
NR1I2 O75469 12/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL2292224 0.94 NR1I2 (0.56) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL5285074 0.93 LMNA (0.53) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL5292819 0.93 NR1I2 (0.48) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL5300596 0.93 HPGD (0.50) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL5300317 0.93 NR1I2 (0.48) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL2299260 0.92 HPGD (0.48) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL5290026 0.92 AKR1C3 (0.49) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL2292244 0.91 HPGD (0.62) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL5410518 0.91 NR1I2 (0.61) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL5300268 0.91 NR1I2 (0.61) HPGDNR1I2ALDH1A1MEN1KMT2A

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-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 HPGD 2856/4885NR1I2 1911/4885ALDH1A1 1381/4885

“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.