SCHEMBL23609288

SCHEMBL23609288

c1cc(-c2cc(NCC3CCCCC3)ccc2NCCn2cncn2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
GSK3B P49841 2/20 0.35
KDM4C Q9H3R0 2/20 0.34
AOC1 P19801 1/20 0.34
AOC3 Q16853 1/20 0.34
PDE5A O76074 3/20 0.33
NFATC1 O95644 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AXL P30530 1/20 0.32
NAMPT P43490 1/20 0.32
ALDH3A1 P30838 1/20 0.31
PKM P14618 1/20 0.31
ITK Q08881 1/20 0.31

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
SCHEMBL23609143 0.92 SMN1; SMN2 (0.41) PDE5AALDH1A1HTTSMN1; SMN2ITK
SCHEMBL23609145 0.79 FLT1 (0.43) GSK3BPDE5ADYRK1AALDH1A1HTT
SCHEMBL23609770 0.75 CSNK2A2 (0.38) GSK3BPDE5AALDH1A1
SCHEMBL23579205 0.74 QPCT (0.35) S1PR1GSK3B
SCHEMBL23608999 0.73 CYP19A1 (0.43) ALDH1A1HTTSMN1; SMN2
SCHEMBL23609003 0.73 SMN1; SMN2 (0.44) GSK3BALDH1A1HTTSMN1; SMN2
SCHEMBL23609264 0.71 SMN1; SMN2 (0.42) ALDH1A1HTTSMN1; SMN2
SCHEMBL23608952 0.69 PDE5A (0.36) S1PR1KDM4CAOC1AOC3PDE5A
SCHEMBL30406454 0.69 CYP1A2 (0.45) PDE5AALDH1A1
SCHEMBL23609230 0.68 SMN1; SMN2 (0.46) ALDH1A1HTTSMN1; SMN2

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
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP 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 S1PR1 1802/4885GSK3B 2662/4885KDM4C 2318/4885

“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.