SCHEMBL23608949

SCHEMBL23608949

Fc1ccc(CNc2cccc(NCCn3cncn3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ACHE P22303 1/20 0.36
TP53 P04637 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36

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
SCHEMBL23608948 0.82 GPR55 (0.47) CYP19A1NAMPTKDM4EALDH1A1HPGD
SCHEMBL23609271 0.77 KDM4E (0.40) CYP19A1KDM4EALDH1A1HPGDLMNA
SCHEMBL23608965 0.74 CYP19A1 (0.41) CYP19A1NAMPTKDM4EALDH1A1LMNA
SCHEMBL30406544 0.74 CYP19A1 (0.40) CYP19A1NAMPTKDM4EALDH1A1LMNA
SCHEMBL23608959 0.73 SMN1; SMN2 (0.42) CYP19A1NAMPTKDM4EALDH1A1LMNA
SCHEMBL23609142 0.72 CYP19A1 (0.41) CYP19A1KDM4EALDH1A1LMNATP53
SCHEMBL23608978 0.72 SMN1; SMN2 (0.43) CYP19A1KDM4EALDH1A1LMNAACHE
SCHEMBL23608946 0.72 SMN1; SMN2 (0.41) CYP19A1NAMPTKDM4ELMNAMAPK1
SCHEMBL23608962 0.71 IRAK1 (0.39) KDM4EALDH1A1HPGD
SCHEMBL30406696 0.71 NTRK1 (0.35) CYP19A1NAMPTKDM4ELMNA

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-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US 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 CYP19A1 153/4885NAMPT 965/4885KDM4E 1418/4885

“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.