SCHEMBL29972983

SCHEMBL29972983

Fc1ccc(Nc2ccc(NCC3(Cn4cncn4)COC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.35
CYP2C19 P33261 7/20 0.35
CYP2C9 P11712 6/20 0.35
CYP1A2 P05177 5/20 0.35
CYP2D6 P10635 4/20 0.35
CYP19A1 P11511 2/20 0.33
AR P10275 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP51A1 Q16850 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
KMT2A Q03164 2/20 0.31
BCDIN3D Q7Z5W3 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL23609120 1.00 CYP3A4 (0.35) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL23609210 0.92 CYP3A4 (0.35) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL30406673 0.92 CYP3A4 (0.35) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL30405632 0.90 CYP3A4 (0.35) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL23609178 0.90 CYP3A4 (0.35) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL23609187 0.87 CYP3A4 (0.34) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL30405907 0.87 CYP3A4 (0.34) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL23609119 0.83 PDE3B (0.34) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL30406534 0.83 PDE3B (0.34) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL23608947 0.83 CYP3A4 (0.34) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6

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
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP 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 CYP3A4 812/4885CYP2C19 403/4885CYP2C9 554/4885

“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.