SCHEMBL31191034

SCHEMBL31191034

CC(=O)Nc1ccc(C(C)=O)c(OC(=O)c2ccc(N(C)Cc3ccccc3)cc2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL31290998 1.00 CRHBP (0.39) CRHBPCRHR2CYP19A1HDAC3HDAC1
SCHEMBL25357966 0.87 ALDH1A1 (0.40) CYP19A1MAPTNPSR1BRD4KMT2A
SCHEMBL18973787 0.86 CYP19A1 (0.41) CYP19A1MAPTNPSR1BRD4KMT2A
SCHEMBL8511034 0.85 MAPT (0.49) MAPTNPSR1KMT2AMEN1LMNA
SCHEMBL16875669 0.85 MDM2 (0.42) CYP19A1MAPTNPSR1KMT2AMEN1
SCHEMBL25357971 0.76 CYP19A1 (0.39) CYP19A1MAPTNPSR1BRD4KMT2A
SCHEMBL25359757 0.76 CYP19A1 (0.58) CYP19A1MAPTBRD4KMT2AMEN1
SCHEMBL15549951 0.74 MAPT (0.41) CYP19A1HDAC1MAPTNPSR1KMT2A
SCHEMBL14702311 0.71 ALDH1A1 (0.42) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL26023443 0.69 CA1 (0.55) HDAC3HDAC1HDAC2NCOR2MAPT

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-20250161459-A1 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2025-05-22 — — US 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 CRHBP 486/4885CRHR2 176/4885CYP19A1 2464/4885

“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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