SCHEMBL2298363

SCHEMBL2298363

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
STAT3 P40763 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCKBR P32239 1/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
EDNRA P25101 1/20 0.43
HDAC1 Q13547 4/20 0.43
NTRK1 P04629 1/20 0.42

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
SCHEMBL5284614 0.93 NR1I2 (0.46) ANO1HRH3MAPTALDH1A1MEN1
SCHEMBL2294694 0.92 MAPT (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL12419753 0.91 HRH3 (0.50) ANO1HRH3MAPTALDH1A1MEN1
SCHEMBL2294585 0.86 HTR2C (0.45) HRH3MEN1KMT2AEDNRA
SCHEMBL2299363 0.85 MAPT (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL2294482 0.83 NAMPT (0.48) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL2292791 0.83 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2299138 0.83 NOTUM (0.46) ANO1MAPTMEN1KMT2ARAB9A
SCHEMBL2294719 0.82 POLB (0.46) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL2295247 0.81 LMNA (0.50) MAPTALDH1A1MEN1KMT2ALMNA

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 disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US 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 ANO1 136/4885HRH3 2118/4885MAPT 4745/4885

“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.