SCHEMBL2461894

SCHEMBL2461894

CC1CN(c2ccc(N)c(C(=O)NC(C(N)=O)C(C)C)c2)C(C)CN1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
CNR2 P34972 5/20 0.34
CNR1 P21554 4/20 0.34
HPGDS O60760 1/20 0.33
PIK3CD O00329 1/20 0.33
NPC1 O15118 1/20 0.32
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL2461911 0.81 IP6K1 (0.36) HDAC1CNR2CNR1HPGDSNPC1
SCHEMBL2461899 0.80 HDAC1 (0.38) HDAC1PIK3CD
SCHEMBL2463564 0.76 CNR1 (0.37) CNR2CNR1HPGDSNPC1
SCHEMBL2461992 0.73 ADRB1 (0.37) CNR2CNR1
SCHEMBL2458971 0.72 IP6K1 (0.38) CNR2CNR1HPGDSNPC1
SCHEMBL2461130 0.71 IP6K1 (0.40) CNR2CNR1HPGDSNPC1
SCHEMBL2463505 0.71 HDAC1 (0.39) HDAC1CNR2CNR1HPGDSNPC1
SCHEMBL3131254 0.70 HPGDS (0.53) CNR2CNR1HPGDSNPC1
SCHEMBL2463575 0.70 NR1H3 (0.42) HDAC1
SCHEMBL2462402 0.70 MAPT (0.51) NPC1

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 HDAC1 179/4885CNR2 705/4885CNR1 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.