SCHEMBL15071104

SCHEMBL15071104

CCN(CC)C(=O)c1ccc2nc(C)c(-c3ccccc3)n2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 1/20 0.52
F2RL1 P55085 1/20 0.52
LMNA P02545 1/20 0.47
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45
SLC2A1 P11166 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL25391 0.83 F2RL1 (0.58) F2RL1AKT1AKT2NPC1RAB9A
SCHEMBL21500652 0.81 F2RL1 (0.56) HPGDALDH1A1MAPTF2RL1AKT1
SCHEMBL15050025 0.79 AKT1 (0.58) HPGDALDH1A1MAPTF2RL1AKT1
SCHEMBL15071152 0.76 F2RL1 (0.75) HPGDALDH1A1F2RL1LMNASLC2A1
SCHEMBL31518 0.74 F2RL1 (0.72) HPGDALDH1A1MAPTF2RL1LMNA
SCHEMBL31499 0.74 F2RL1 (0.62) HPGDALDH1A1F2RL1LMNAAKT1
SCHEMBL15071143 0.73 F2RL1 (0.74) HPGDF2RL1AKT1AKT2SLC2A1
SCHEMBL15050009 0.73 F2RL1 (0.68) HPGDF2RL1AKT1AKT2SLC2A1
SCHEMBL30218059 0.73 AKT1 (0.51) HPGDALDH1A1F2RL1LMNAAKT1
SCHEMBL12920734 0.72 COMT (0.55) HPGDALDH1A1F2RL1AKT1AKT2

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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 HPGD 80/4885ALDH1A1 3710/4885MAPT 2694/4885

“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.