SCHEMBL7916829

SCHEMBL7916829

COC(=O)c1ccc2cccc(-c3ncccc3F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SLC40A1 Q9NP59 2/20 0.44
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NQO2 P16083 1/20 0.40

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
SCHEMBL16502677 0.87 ALOX15 (0.53) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL16502612 0.86 ALOX15 (0.52) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL16509513 0.86 ALOX15 (0.52) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL16502512 0.85 ALOX15 (0.54) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL7918466 0.85 ALOX15 (0.49) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL16502630 0.85 PLA2G2D (0.46) HTTRAB9ASLC40A1SMN1; SMN2KDM4E
SCHEMBL16502728 0.85 NPC1 (0.43) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL16502716 0.83 ALDH1A1 (0.48) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL16502705 0.83 S1PR1 (0.42) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL7920242 0.83 ALOX15 (0.49) ALOX15HTTALDH1A1HPGDL3MBTL1

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A ALOX15 390/4885HTT 232/4885ALDH1A1 789/4885

“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.