SCHEMBL2463468

SCHEMBL2463468

CC(C)C(NC(=O)c1cc(N2CCCC(CN(C)C)C2)ccc1N)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
CNR1 P21554 4/20 0.38
IP6K1 Q92551 1/20 0.38
CNR2 P34972 4/20 0.35
SYK P43405 1/20 0.33
NPC1 O15118 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 3/20 0.32
WDR91 A4D1P6 1/20 0.32
GAK O14976 1/20 0.32
AVPR2 P30518 2/20 0.32
AVPR1A P37288 1/20 0.32

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
SCHEMBL2463471 0.84 CTSK (0.41) CTSKCTSCIP6K1TRPA1AVPR2
SCHEMBL2461130 0.80 IP6K1 (0.40) CNR1IP6K1CNR2NPC1
SCHEMBL2458971 0.78 IP6K1 (0.38) CNR1IP6K1CNR2NPC1
SCHEMBL2461911 0.76 IP6K1 (0.36) CNR1IP6K1CNR2NPC1
SCHEMBL2461992 0.75 ADRB1 (0.37) CNR1IP6K1CNR2
SCHEMBL3452434 0.75 IP6K1 (0.42) CTSKCNR1IP6K1CNR2SYK
SCHEMBL2463575 0.74 NR1H3 (0.42) IP6K1
SCHEMBL9041963 0.73 IP6K1 (0.40) CTSKCTSCIP6K1ALDH1A1MAPT
SCHEMBL2463564 0.72 CNR1 (0.37) CNR1CNR2NPC1
SCHEMBL2463505 0.71 HDAC1 (0.39) CNR1IP6K1CNR2NPC1

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 CTSK 1380/4885CTSC 1399/4885CNR1 904/4885

“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.