SCHEMBL23608977

SCHEMBL23608977

O=C(Nc1ccc(-c2ccccc2)c(NCCn2cncn2)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
KCNK3 O14649 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
BCAT2 O15382 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
PTPN1 P18031 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
SCHEMBL23609012 0.92 PKM (0.43) PKMACE2SMN1; SMN2HTTFLT1
SCHEMBL23609161 0.83 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDRMAPTALDH1A1
SCHEMBL23608983 0.81 CYP19A1 (0.43) SMN1; SMN2HTTFLT1KDRMAPT
SCHEMBL23609006 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDRMAPTALDH1A1
SCHEMBL23609386 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAPTALDH1A1MEN1
SCHEMBL23579458 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HTTKDRMAPTALDH1A1
SCHEMBL29974527 0.78 ACE2 (0.50) PKMACE2SMN1; SMN2KCNK3MAPT
SCHEMBL23609245 0.78 ACE2 (0.50) PKMACE2SMN1; SMN2KCNK3MAPT
SCHEMBL23609244 0.78 ACE2 (0.52) ACE2SMN1; SMN2KCNK3MAPTALDH1A1
SCHEMBL23609019 0.77 CSNK2A2 (0.46) SMN1; SMN2HTTKDRMAPTALDH1A1

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-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US disclosed
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 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-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 PKM 1454/4885ACE2 827/4885SMN1; SMN2 243/4885

“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.