SCHEMBL2298674

SCHEMBL2298674

CC(Oc1ccccc1)C(=O)Nc1ccc2ncn(C(CC(=O)O)c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
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
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL2294542 0.93 MAPT (0.51) FFAR1MAPTALDH1A1HPGDGAA
SCHEMBL2292578 0.85 KDM4E (0.44) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2294191 0.84 NPC1 (0.38) MAPTGAAKMT2ARXFP1LMNA
SCHEMBL2292264 0.82 NPC1 (0.44) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL5295624 0.81 ALDH1A1 (0.49) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL2294478 0.81 NPC1 (0.48) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2299134 0.80 NPC1 (0.49) MAPTALDH1A1HPGDGAAKMT2A
SCHEMBL2295362 0.80 SMN1; SMN2 (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2296390 0.80 MEN1 (0.45) MAPTALDH1A1GAATSHRMEN1
SCHEMBL2294905 0.79 USP2 (0.51) MAPTALDH1A1MEN1KMT2APOLB

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 FFAR1 1549/4885MAPT 4745/4885ALDH1A1 1381/4885

“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.