SCHEMBL2821209

SCHEMBL2821209

Nc1ccccc1-c1[c]noc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.35
KDM4E B2RXH2 5/20 0.35
NPC1 O15118 4/20 0.35
GAA P10253 4/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
IDO1 P14902 4/20 0.34
ATAD2 Q6PL18 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL69514 0.77 SMN1; SMN2 (0.40) ALDH1A1HSD17B10SMN1; SMN2KDM4ENPC1
SCHEMBL2821405 0.77 NOTUM (0.38) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL17540870 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL8585255 0.67 CHRM2 (0.36) ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL3758938 0.67 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL2182857 0.65 KDM4E (0.48) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL31607672 0.65 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL169281 0.65 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL29793563 0.65 ALDH1A1 (0.63) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E
SCHEMBL10995283 0.65 ALDH1A1 (0.63) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2KDM4E

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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885L3MBTL1 4330/4885HSD17B10 80/4885

“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.