SCHEMBL2462402

SCHEMBL2462402

CC1CN(c2ccc([N+](=O)[O-])c(C(=O)NC(C(N)=O)C(C)C)c2)CCCN1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 1/20 0.40
SIRT6 Q8N6T7 4/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 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
SCHEMBL13108499 0.82 MAPT (0.51) MAPTFAAHMGLLCYP1A2CYP2C9
SCHEMBL2462404 0.82 MAPT (0.51) MAPTFAAHMGLLCYP1A2CYP2C9
SCHEMBL2456390 0.81 SIRT6 (0.57) MAPTFAAHMGLLCYP1A2CYP2C9
SCHEMBL2458971 0.78 IP6K1 (0.38) NPC1
SCHEMBL6887892 0.78 MAPT (0.54) MAPTFAAHMGLLCYP1A2CYP2C9
SCHEMBL2461911 0.75 IP6K1 (0.36) NPC1KMT2A
SCHEMBL27712481 0.72 ALDH1A1 (0.46) MAPTNPC1ALDH1A1HTTKMT2A
SCHEMBL2461992 0.71 ADRB1 (0.37)
SCHEMBL2461894 0.70 HDAC1 (0.39) NPC1
SCHEMBL2463505 0.69 HDAC1 (0.39) 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 MAPT 1996/4885FAAH 1157/4885MGLL 3072/4885

“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.