SCHEMBL31190976

SCHEMBL31190976

CC(=O)c1ccc(N)c([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.47
▸ MGMT P16455 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ RAB9A P51151 2/20 0.43
▸ MAOA P21397 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41

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
SCHEMBL26022683 1.00 MAOB (0.47) MAOBMGMTMAPTSMN1; SMN2CYP2C9
SCHEMBL31190951 0.85 MAOB (0.47) MAOBMGMTMAPTSMN1; SMN2CYP2C9
SCHEMBL26022674 0.85 MAOB (0.47) MAOBMGMTMAPTSMN1; SMN2CYP2C9
SCHEMBL25359757 0.82 CYP19A1 (0.58) MAOBMAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL16738992 0.79 MGMT (0.50) MGMTMAPTCYP19A1RAB9ALMNA
SCHEMBL6449950 0.77 SMN1; SMN2 (0.45) MAOBMAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL1559731 0.76 MAPT (0.66) MAOBMAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL12253970 0.75 PTPN1 (0.47) MGMTMAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL6552022 0.75 MAPT (0.54) MAOBMAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL25355454 0.75 MGMT (0.46) MAOBMGMTMAPTSMN1; SMN2CYP19A1

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
CN-122029177-A Oligonucleotides containing multiple ligands and/or lipids 阿达尔克斯制药有限公司 2026-05-12 — — CN disclosed
US-20250161459-A1 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2025-05-22 — — US disclosed
WO-2025038963-A1 OLIGONUCLEOTIDES CONTAINING MULTIPLE LIGANDS AND/OR LIPIDS ADARX PHARMACEUTICALS, INC. (US) 2025-02-20 — — WO disclosed
CN-118973616-A Trkb ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-11-15 — — CN disclosed
WO-2024220930-A2 MAPT-MODULATING COMPOSITIONS AND METHODS OF USE THEREOF ADARX PHARMACEUTICALS, INC. (US) 2024-10-24 — — 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-20250161459-A1 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF NTRK2, NTRK1, BDNF MAOB 265/4885MGMT 3408/4885MAPT 192/4885

“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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