SCHEMBL25910290

SCHEMBL25910290

CCCCCCCC(C)(CCCCCCC)c1scnc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 5/20 0.32
S1PR4 O95977 4/20 0.32
S1PR3 Q99500 4/20 0.32
S1PR5 Q9H228 4/20 0.32
TNNC1 P63316 5/20 0.31
SGPL1 O95470 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
CNR1 P21554 1/20 0.31
PKM P14618 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
SCHEMBL21721286 0.70 GPR35 (0.35) CNR2S1PR1S1PR4S1PR3S1PR5
SCHEMBL21721254 0.69 CNR2 (0.32) CNR2S1PR1S1PR4S1PR3S1PR5
SCHEMBL21721201 0.69 CNR2 (0.32) CNR2S1PR1S1PR4S1PR3S1PR5
SCHEMBL24023361 0.68 ALDH1A1 (0.58) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL27019720 0.68 ALDH1A1 (0.58) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL22949545 0.68 AKT1 (0.35) CNR2CNR1
SCHEMBL21721280 0.68 GPR35 (0.33) CNR2S1PR1S1PR4S1PR3S1PR5
SCHEMBL22955755 0.68 AKT1 (0.35) CNR2CNR1
SCHEMBL22023657 0.68 FDPS (0.33) CNR2S1PR1S1PR4S1PR3S1PR5
SCHEMBL22023773 0.68 CNR2 (0.33) CNR2CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US 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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 CNR2 176/4885KDM4E 1678/4885MEN1 4789/4885

“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.