SCHEMBL22497966

SCHEMBL22497966

ICCc1cccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
TBXAS1 P24557 1/20 0.54
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.43
CHRM1 P11229 2/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GLS O94925 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14567054 0.86 LOXL2 (0.60) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL6970292 0.85 CYP19A1 (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL18434615 0.84 MAPT (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL30123180 0.84 MAPT (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL5495469 0.81 CYP19A1 (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL4394904 0.81 CYP19A1 (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL5500729 0.81 CYP19A1 (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL5537149 0.81 CYP19A1 (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL6114797 0.81 CYP19A1 (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2
SCHEMBL3967767 0.80 MAPT (0.54) CYP19A1TBXAS1MAPTKDM4ELOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-05-12 US disclosed
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-05-12 US disclosed
EP-3947394-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-02-09 EP disclosed
CN-113939521-A Imidazoline derivatives as CXCR4 modulators 巴黎大学 2022-01-14 CN disclosed
WO-2020201096-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2020-10-08 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-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCL12, CXCR1 CYP19A1 2856/4885TBXAS1 722/4885MAPT 4610/4885

“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.