SCHEMBL3038425

SCHEMBL3038425

COC(=O)N1CN(CC(=O)O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ BRD4 O60885 2/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL4364295 0.83 BRD4 (0.55) BRD4KMT2APOLBCYP2D6CYP2C9
SCHEMBL17792927 0.76 POLB (0.42) BRD4KMT2AMEN1ALDH1A1POLB
SCHEMBL1954816 0.74 P2RX4 (0.47) ADORA3P2RX4KMT2AMEN1BCHE
SCHEMBL28092692 0.72 ADORA3 (0.48) ADORA3BRD4P2RX4KMT2AMEN1
SCHEMBL13444609 0.70 ALDH1A1 (0.54) BRD4KMT2AMEN1ALDH1A1POLB
SCHEMBL9183671 0.65 P2RX4 (0.53) ADORA3P2RX4KMT2AMEN1BCHE
SCHEMBL5585204 0.65 NOTUM (0.67) KMT2AMEN1ALDH1A1POLB
SCHEMBL30721522 0.65 NOTUM (0.67) KMT2AMEN1ALDH1A1POLB
Bicarbonate SCHEMBL26677806 0.64 BRD4 (0.44) BRD4KMT2AMEN1POLB
SCHEMBL6226194 0.64 P2RX4 (0.47) ADORA3P2RX4KMT2AMEN1BCHE

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-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 — — US disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 — — 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI ADORA3 854/4885BRD4 103/4885P2RX4 1006/4885

“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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