SCHEMBL12848314

SCHEMBL12848314

CC(C)NC(=O)c1cccn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAP3K5 Q99683 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 2/20 0.40
AURKB Q96GD4 1/20 0.40
NPC1 O15118 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39

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
SCHEMBL24567555 0.87 MAP3K5 (0.41) ALDH1A1LMNAMAP3K5KDM4ERAB9A
SCHEMBL24568261 0.84 MEN1 (0.59) ALDH1A1PKMMAPTKDM4EHTT
SCHEMBL31186139 0.81 CNR1 (0.49)
SCHEMBL31186009 0.80 GRN (0.48)
SCHEMBL20344700 0.80 MET (0.41) ALDH1A1LMNAMAOAMAOBPKM
SCHEMBL13753394 0.77 RAB9A (0.55) MAOBPKMMAPTKDM4ERAB9A
SCHEMBL2284288 0.77 BRD4 (0.54) ALDH1A1LMNAPKMMAPTKDM4E
SCHEMBL12376659 0.77 MAPT (0.48) ALDH1A1MAP3K5MAOAMAOBMAPT
SCHEMBL13368482 0.77 BRD4 (0.61) KDM4EHTTRAB9ANPC1ADRA1D
SCHEMBL31667256 0.75 BRD4 (0.40) ALDH1A1LMNAMAOBPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 ALDH1A1 1526/4885LMNA 1139/4885MAP3K5 43/4885

“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.