SCHEMBL31491

SCHEMBL31491

Cc1nc2ccc(C(=O)N3CCN(C(=O)CC4CCCCC4)CC3)cn2c1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.75
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SMO Q99835 1/20 0.42
AKT1 P31749 9/20 0.41
AKT2 P31751 9/20 0.41
FASN P49327 1/20 0.40
SLC2A1 P11166 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A7 Q99884 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31519 0.85 F2RL1 (1.00) F2RL1FASNSLC2A1MEN1KMT2A
SCHEMBL15071100 0.85 F2RL1 (0.77) F2RL1ALDH1A1AKT1AKT2MEN1
SCHEMBL15071160 0.84 F2RL1 (0.67) F2RL1ALDH1A1KDM4EHSD17B10AKT1
SCHEMBL15071152 0.84 F2RL1 (0.75) F2RL1ALDH1A1FASNSLC2A1MEN1
SCHEMBL15071151 0.83 F2RL1 (0.75) F2RL1ALDH1A1AKT1AKT2FASN
SCHEMBL15071143 0.83 F2RL1 (0.74) F2RL1AKT1AKT2SLC2A1MEN1
SCHEMBL31526 0.82 F2RL1 (0.90) F2RL1FASNSLC2A1MEN1KMT2A
SCHEMBL15071155 0.82 F2RL1 (0.73) F2RL1ALDH1A1KDM4EHSD17B10AKT1
SCHEMBL15071158 0.82 F2RL1 (0.73) F2RL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31518 0.82 F2RL1 (0.72) F2RL1ALDH1A1KDM4EHSD17B10AKT1

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
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
WO-2012026765-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 F2RL1 1/4885ALDH1A1 3710/4885KDM4E 3576/4885

“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.