SCHEMBL6837586

SCHEMBL6837586

COc1ccc(CNCCc2ccccn2)c2cc(C(=O)NC(C)c3ccccc3)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 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
SCHEMBL6837587 1.00 ALOX15 (0.43) ALOX15ALDH1A1KDM4EHPGDNPC1
SCHEMBL6833320 0.89 KMT2A (0.45) ALDH1A1HPGDKMT2AHSD17B10MEN1
SCHEMBL6833318 0.89 KMT2A (0.45) ALDH1A1HPGDKMT2AHSD17B10MEN1
SCHEMBL6833341 0.86 ALDH1A1 (0.52) ALOX15ALDH1A1KDM4EHPGDNPC1
SCHEMBL6837537 0.86 ALOX15 (0.46) ALOX15ALDH1A1KDM4EHPGDNPC1
SCHEMBL6838019 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL6838021 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL6837938 0.86 MEN1 (0.48) ALOX15ALDH1A1KDM4EHPGDNPC1
SCHEMBL6836455 0.85 EPHX2 (0.45) ALDH1A1HPGDRAB9AKMT2AHSD17B10
SCHEMBL6836453 0.85 EPHX2 (0.45) ALDH1A1HPGDRAB9AKMT2AHSD17B10

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-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 ALOX15 525/4885ALDH1A1 323/4885KDM4E 3975/4885

“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.