SCHEMBL23608978

SCHEMBL23608978

c1ccc(CNc2ccc(-c3ccccc3)c(NCCn3cncn3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 1/20 0.43
RET P07949 1/20 0.41
CYP19A1 P11511 4/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
TLR9 Q9NR96 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL23609004 0.85 SMN1; SMN2 (0.44) SMN1; SMN2HTTCYP19A1LMNAMAPT
SCHEMBL23609142 0.82 CYP19A1 (0.41) SMN1; SMN2HTTRETCYP19A1LMNA
SCHEMBL23609286 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HTTCYP19A1LMNAMAPT
SCHEMBL23609046 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HTTRETCYP19A1LMNA
SCHEMBL23608984 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HTTRETCYP19A1LMNA
SCHEMBL23609280 0.78 MAP4K4 (0.41) SMN1; SMN2RETMAPTMEN1KMT2A
SCHEMBL23609144 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HTTCYP19A1LMNAMAPT
SCHEMBL23608983 0.78 CYP19A1 (0.43) SMN1; SMN2HTTCYP19A1LMNAMAPT
SCHEMBL23608999 0.76 CYP19A1 (0.43) SMN1; SMN2HTTCYP19A1LMNAMAPT
SCHEMBL30406536 0.73 NR1H4 (0.42) SMN1; SMN2HTTCYP19A1LMNAMAPT

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 SMN1; SMN2 243/4885HTT 549/4885RET 3814/4885

“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.