SCHEMBL31476468

SCHEMBL31476468

O=C(NC(COC(=O)Oc1ccc([N+](=O)[O-])cc1)COC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MGLL Q99685 1/20 0.37
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL31520512 0.95 CYP1A2 (0.43) KMT2AHTR2ACASP3EPHX2MAPT
SCHEMBL31520535 0.93 HTR2A (0.42) KMT2AHTR2ACASP3MGLL
SCHEMBL31520542 0.93 KMT2A (0.40) KMT2AHTR2ACASP3RAB9AMDM4
SCHEMBL31520537 0.91 KMT2A (0.41) KMT2AHTR2ACASP3MDM2
SCHEMBL31520531 0.90 HTR2A (0.41) KMT2AHTR2ACASP3MAPTRAB9A
SCHEMBL31520525 0.90 TLR2 (0.37) KMT2AHTR2ACASP3EPHX2
SCHEMBL31520517 0.90 HTR2A (0.39) KMT2AHTR2ACASP3MAPTHTT
SCHEMBL31520523 0.90 HTR2A (0.39) KMT2AHTR2ACASP3EPHX2MDM2
SCHEMBL31520507 0.89 MAPT (0.37) KMT2AHTR2ACASP3EPHX2MAPT
SCHEMBL31520518 0.89 HTR2A (0.43) KMT2AHTR2ACASP3EPHX2MAPT

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
EP-4537854-A1 COMPOUND FOR CONJUGATION, CONJUGATE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Formosa Laboratories, Inc. (TW) 2025-04-16 — — EP disclosed
US-20250114473-A1 COMPOUND FOR CONJUGATION, CONJUGATE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FORMOSA LABORATORIES, INC. (TW) 2025-04-10 — — 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-20250114473-A1 COMPOUND FOR CONJUGATION, CONJUGATE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ABCB1, UGT1A9, ABCG2 KMT2A 1259/4885HTR2A 2775/4885CASP3 2905/4885

“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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