SCHEMBL2458671

SCHEMBL2458671

CCN1CCCN(c2ccc(N)c(C(=O)NCC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
RAD52 P43351 2/20 0.45
IP6K1 Q92551 1/20 0.43
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PTPRC P08575 2/20 0.36
LMNA P02545 2/20 0.36
LGMN Q99538 1/20 0.36
FLT3 P36888 1/20 0.35
HDAC1 Q13547 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
SCHEMBL2463348 0.90 IP6K1 (0.41) IP6K1PTPRC
SCHEMBL2461832 0.85 IP6K1 (0.42) IP6K1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1919963 0.82 MAPT (0.48) IP6K1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2456136 0.79 IP6K1 (0.36) IP6K1ALDH1A1MAPTSMN1; SMN2PTPRC
SCHEMBL2456132 0.78 HDAC4 (0.42) IP6K1POLBNPC1HDAC1
SCHEMBL2462365 0.78 P2RX7 (0.38) IP6K1MAPTPTPRC
SCHEMBL2458654 0.77 MAPT (0.46) IP6K1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2462006 0.77 MAPT (0.45) IP6K1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2456831 0.77 MAPT (0.41) IP6K1ALDH1A1MAPTLMNAHDAC1
SCHEMBL2456825 0.77 MAPT (0.41) IP6K1ALDH1A1MAPTLMNAHDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA GAA 353/4885RAD52 1940/4885IP6K1 2048/4885

“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.