SCHEMBL2292791

SCHEMBL2292791

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)CCCc3c[nH]c4ccccc34)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
CYP2D6 P10635 1/20 0.44
RECQL P46063 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC1 Q13547 1/20 0.44
IDE P14735 1/20 0.44
ALOX15 P16050 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
SCHEMBL2299363 0.95 MAPT (0.47) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL5284614 0.90 NR1I2 (0.46) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL2294694 0.89 MAPT (0.47) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL2298363 0.83 ANO1 (0.46) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL2293659 0.83 HTR2C (0.45) KMT2AMEN1LMNA
SCHEMBL5284695 0.81 ALDH1A1 (0.52) MAPTKDM4ETDP1ALDH1A1CYP1A2
SCHEMBL5292438 0.81 RAB9A (0.43) KMT2AMEN1LMNAKDM4E
SCHEMBL2294719 0.79 POLB (0.46) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL2291392 0.77 KMT2A (0.51) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2294585 0.76 HTR2C (0.45) KMT2AMEN1

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 4 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
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 MAPT 4745/4885KMT2A 3680/4885MEN1 2656/4885

“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.