SCHEMBL2461863

SCHEMBL2461863

CC(C)NC(=O)CNC(=O)c1cc(N2CCCN(c3ccccc3)CC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.48
SIRT6 Q8N6T7 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
PDK2 Q15119 1/20 0.40
GPR139 Q6DWJ6 2/20 0.40
CNR2 P34972 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HTT P42858 1/20 0.39
PTPN11 Q06124 1/20 0.39
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 1/20 0.38
AVPR2 P30518 1/20 0.38

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
SCHEMBL2460762 0.90 IP6K1 (0.45) IP6K1SIRT6MAPTGAAHDAC3
SCHEMBL2461088 0.89 IP6K1 (0.44) IP6K1SIRT6MAPTGPR139ALDH1A1
SCHEMBL2458700 0.88 SIRT6 (0.46) IP6K1SIRT6MAPTGAAKMT2A
SCHEMBL2461879 0.87 IP6K1 (0.44) IP6K1SIRT6MAPTGPR139ALDH1A1
SCHEMBL2463213 0.86 IP6K1 (0.42) IP6K1SIRT6GAAPTPN11
SCHEMBL2462006 0.83 MAPT (0.45) IP6K1MAPTPDK2MEN1KMT2A
SCHEMBL2463894 0.82 IP6K1 (0.41) IP6K1KDM1A
SCHEMBL2461135 0.82 AVPR1B (0.42) IP6K1
SCHEMBL2490204 0.82 IP6K1 (0.39) IP6K1SIRT6
SCHEMBL2464130 0.81 MAPT (0.47) IP6K1MAPTPDK2MEN1KMT2A

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 IP6K1 2048/4885SIRT6 196/4885MAPT 1996/4885

“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.