SCHEMBL23876019

SCHEMBL23876019

CNCC1(Cn2cncn2)COC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 3/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.30
CYP19A1 P11511 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL23608933 0.86 HSP90AA1 (0.31) HSP90AA1NPSR1CYP3A4THRBALDH1A1
SCHEMBL23876037 0.84 HSP90AA1 (0.31) HSP90AA1NPSR1CYP3A4THRB
SCHEMBL23609146 0.84 HSP90AA1 (0.33) HSP90AA1NPSR1CYP3A4THRBKMT2A
SCHEMBL23609212 0.82 HSP90AA1 (0.37) HSP90AA1NPSR1CYP3A4THRBALDH1A1
SCHEMBL23876086 0.79 EGLN3 (0.33) HSP90AA1NPSR1CYP3A4THRBALDH1A1
SCHEMBL10204805 0.72 MEN1 (0.35) ALDH1A1MAPTKMT2A
SCHEMBL23608952 0.71 PDE5A (0.36) HSP90AA1NPSR1CYP3A4ALDH1A1CYP2C9
SCHEMBL30405860 0.70 CYP2D6 (0.33) CYP3A4CYP2C9
SCHEMBL6632043 0.69 HSP90AA1 (0.39) HSP90AA1NPSR1CYP3A4THRBALDH1A1
SCHEMBL30406534 0.69 PDE3B (0.34) CYP3A4CYP2C9

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-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 HSP90AA1 2483/4885NPSR1 2470/4885CYP3A4 538/4885

“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.