SCHEMBL22428511

SCHEMBL22428511

c1cc(-c2cc(-c3cccc(-c4cccc(-c5ccncc5)n4)c3)cc(-n3c4ccccc4c4cnccc43)c2)cc(-c2cccc(-c3ccncc3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.39
▸ MAOB P27338 4/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CYP2D6 P10635 3/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL22428569 0.94 KMT2A (0.40) CYP2D6GRM5KMT2ARAB9AMEN1
SCHEMBL22428510 0.92 CYP19A1 (0.45) MAOAMAOBACHEGRM5CYP19A1
SCHEMBL24492882 0.91 MAOA (0.38) MAOAMAOBACHECYP2D6GRM5
SCHEMBL12919325 0.90 MAOA (0.43) MAOAMAOBACHECYP2D6GRM5
SCHEMBL22428449 0.90 MAOA (0.44) MAOAMAOBACHECYP2D6GRM5
SCHEMBL9921806 0.89 MAOA (0.43) MAOAMAOBACHECYP2D6GRM5
SCHEMBL14706283 0.89 MAOA (0.43) MAOAMAOBACHECYP2D6GRM5
SCHEMBL14706285 0.88 MAOA (0.43) MAOAMAOBACHECYP2D6GRM5
SCHEMBL9921850 0.88 MAOA (0.43) MAOAMAOBACHECYP2D6GRM5
SCHEMBL14706284 0.87 KDM4E (0.41) MAOAMAOBACHECYP2D6KMT2A

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-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
WO-2020184379-A1 TRISUBSTITUTED BENZENE COMPOUND HAVING NITROGEN-CONTAINING HETERO RING IN MOLECULAR TERMINUS AND ORGANIC ELECTROLUMINESCENCE ELEMENT 保土谷化学工業株式会社 2020-09-17 — — 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-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.

Send feedback