SCHEMBL2291129

SCHEMBL2291129

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cccnc3Sc3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
P2RX7 Q99572 1/20 0.36
PABPC1 P11940 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL2297391 0.93 ATM (0.44) ATMKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12421965 0.91 KMT2A (0.46) ATMKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2299723 0.84 GRM4 (0.48) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL2295598 0.84 MEN1 (0.43) KMT2ASMN1; SMN2LMNAKDM4EMAPT
SCHEMBL5296372 0.83 LMNA (0.48) ATMKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12420935 0.83 ATM (0.43) ATMKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5300651 0.83 KMT2A (0.52) KMT2AALDH1A1MAPT
SCHEMBL2298688 0.83 NPC1 (0.48) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL2297504 0.83 FFAR1 (0.48) KMT2ASMN1; SMN2MAPTMEN1NPC1
SCHEMBL2294479 0.83 FADS1 (0.46) SMN1; SMN2ALDH1A1LMNAKDM4ENPC1

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
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
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 ATM 3041/4885KMT2A 3680/4885SMN1; SMN2 2159/4885

“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.