SCHEMBL24492882

SCHEMBL24492882

c1cc(-c2cc(-c3cccc(-c4cccc(-c5cncnc5)n4)c3)cc(-n3c4ccccc4c4cnccc43)c2)cc(-c2cccc(-c3cncnc3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.38
▸ MAOB P27338 4/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CYP19A1 P11511 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ TOP2A P11388 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CYP2A6 P11509 2/20 0.32
▸ TNF P01375 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ DHFR P00374 1/20 0.31

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
SCHEMBL24492872 0.93 ATM (0.37) CYP19A1GRM5PIM1CYP2A6KDM4E
SCHEMBL22428510 0.92 CYP19A1 (0.45) MAOAMAOBACHECYP19A1GRM5
SCHEMBL22428511 0.91 MAOA (0.39) MAOAMAOBACHECYP19A1CYP2D6
SCHEMBL24492877 0.91 MAOA (0.43) MAOAMAOBACHECYP2D6GRM5
SCHEMBL24493022 0.88 MAOA (0.41) MAOAMAOBACHECYP2D6TOP2A
SCHEMBL12919325 0.88 MAOA (0.43) MAOAMAOBACHECYP19A1CYP2D6
SCHEMBL24492871 0.87 CYP19A1 (0.49) CYP19A1GRM5CYP2A6KDM4EMAPT
SCHEMBL14706283 0.87 MAOA (0.43) MAOAMAOBACHECYP19A1CYP2D6
SCHEMBL9921806 0.87 MAOA (0.43) MAOAMAOBACHECYP19A1CYP2D6
SCHEMBL24493048 0.87 CYP19A1 (0.36) CYP19A1GRM5PIM1CYP2A6TNF

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-20220177454-A1 TRISUBSTITUTED BENZENE COMPOUND HAVING NITROGEN-CONTAINING HETERO RING IN MOLECULAR TERMINUS AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2022-06-09 — — 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-20220177454-A1 TRISUBSTITUTED BENZENE COMPOUND HAVING NITROGEN-CONTAINING HETERO RING IN MOLECULAR TERMINUS AND ORGANIC ELECTROLUMINESCENCE ELEMENT ETV6, LEF1, TEAD2 MAOA 1789/4885MAOB 907/4885ACHE 2555/4885

“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.

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