SCHEMBL2294542

SCHEMBL2294542

CC(Oc1ccccc1)C(=O)Nc1ccc2c(c1)ncn2C(CC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
FFAR1 O14842 1/20 0.49
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 3/20 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
SCHEMBL2298674 0.93 FFAR1 (0.49) MAPTALDH1A1HPGDGAAFFAR1
SCHEMBL2296379 0.85 NPC1 (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2300786 0.84 RAB9A (0.45) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL5300999 0.82 SMN1; SMN2 (0.50) MAPTALDH1A1HPGDGAATSHR
SCHEMBL2296252 0.82 NR1I2 (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2296670 0.82 NR1I2 (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2295674 0.81 NPC1 (0.56) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2299767 0.80 SMN1; SMN2 (0.51) MAPTALDH1A1HPGDGAATSHR
SCHEMBL5298326 0.80 RAB9A (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2295738 0.80 MEN1 (0.45) MAPTALDH1A1GAATSHRMEN1

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 4745/4885ALDH1A1 1381/4885HPGD 2856/4885

“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.