SCHEMBL2292184

SCHEMBL2292184

O=C(O)CC(c1ccc2ccccc2c1)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 10/20 0.53
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1C3 P42330 1/20 0.43
BRD4 O60885 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
BRPF3 Q9ULD4 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL5291553 0.91 NR1I2 (0.60) NR1I2HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL6015138 0.90 HPGD (0.54) NR1I2HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL2292224 0.89 NR1I2 (0.56) NR1I2HPGDLMNAALDH1A1MAPT
SCHEMBL2292244 0.87 HPGD (0.62) NR1I2HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL12380694 0.84 NR1I2 (0.49) NR1I2HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL2299260 0.84 HPGD (0.48) NR1I2HPGDLMNAALDH1A1MAPT
SCHEMBL5285074 0.84 LMNA (0.53) NR1I2HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL5292819 0.84 NR1I2 (0.48) NR1I2HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL5300596 0.84 HPGD (0.50) NR1I2HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL5300317 0.84 NR1I2 (0.48) NR1I2HPGDLMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 NR1I2 1911/4885HPGD 2856/4885LMNA 1740/4885

“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.