SCHEMBL5285074

SCHEMBL5285074

O=C(O)CC(c1ccccc1)n1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
HIF1A Q16665 1/20 0.53
HPGD P15428 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
ALOX12 P18054 1/20 0.52
NR1I2 O75469 9/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ITGA1 P56199 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP24A1 Q07973 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL6015138 0.93 HPGD (0.54) LMNASMN1; SMN2HTTHIF1AHPGD
SCHEMBL5300317 0.91 NR1I2 (0.48) LMNASMN1; SMN2HTTHIF1AHPGD
SCHEMBL5300596 0.91 HPGD (0.50) LMNASMN1; SMN2HTTHIF1AHPGD
SCHEMBL5292819 0.91 NR1I2 (0.48) LMNASMN1; SMN2HTTHPGDALDH1A1
SCHEMBL5300268 0.88 NR1I2 (0.61) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL5410518 0.88 NR1I2 (0.61) LMNASMN1; SMN2HTTHIF1AHPGD
SCHEMBL5291553 0.88 NR1I2 (0.60) LMNASMN1; SMN2HTTHPGDALDH1A1
SCHEMBL2292224 0.88 NR1I2 (0.56) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL2299260 0.85 HPGD (0.48) LMNAHTTHPGDALDH1A1MAPT
SCHEMBL5290026 0.85 AKR1C3 (0.49) HPGDALDH1A1MAPTNR1I2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO 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 LMNA 1740/4885SMN1; SMN2 2159/4885HTT 4869/4885

“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.