SCHEMBL31298077

SCHEMBL31298077

O=C(NCCN1CCOCC1)c1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ BCL3 P20749 3/20 0.63
▸ HPGD P15428 1/20 0.62
▸ CD274 Q9NZQ7 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.61
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ KDM5B Q9UGL1 1/20 0.59

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
SCHEMBL13385672 0.90 POLB (0.61) KMT2AMEN1BCL3HPGDALDH1A1
SCHEMBL2964718 0.86 IKBKB (0.57) KMT2AMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL7527740 0.85 KMT2A (0.66) KMT2AMEN1BCL3HPGDCD274
SCHEMBL8167729 0.85 KMT2A (0.66) KMT2AMEN1BCL3HPGDCD274
SCHEMBL13164059 0.85 MEN1 (0.66) KMT2AMEN1BCL3HPGDCD274
SCHEMBL8161181 0.85 BCL3 (0.84) KMT2AMEN1BCL3HPGDCD274
SCHEMBL21347706 0.85 KMT2A (0.66) KMT2AMEN1BCL3HPGDCD274
SCHEMBL2413238 0.84 MEN1 (0.50) KMT2AMEN1BCL3ALDH1A1
SCHEMBL8356152 0.84 CYP1A2 (0.68) KMT2AMEN1HPGDCD274ALDH1A1
SCHEMBL10352662 0.84 KMT2A (0.65) KMT2AMEN1BCL3HPGDCD274

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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 — — 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 KMT2A 598/4885MEN1 1646/4885BCL3 2598/4885

“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