SCHEMBL6539603

SCHEMBL6539603

CCNC(=O)c1ccccc1[C]=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ BRD4 O60885 3/20 0.49
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CXCR2 P25025 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ HPGD P15428 2/20 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
SCHEMBL6540287 0.86 HTT (0.57) KMT2AL3MBTL1TSHRHTTHCRTR1
SCHEMBL26417076 0.82 HTT (0.64) KMT2AL3MBTL1BRD4TSHRHTT
SCHEMBL31483721 0.82 HTT (0.64) KMT2AL3MBTL1BRD4TSHRHTT
SCHEMBL6539235 0.79 GAA (0.55) KMT2ABRD4
SCHEMBL6461738 0.79 CTSD (0.50) KMT2ACA1CA9ALDH1A1
SCHEMBL5503481 0.77 POLB (0.36) KMT2AHTTAPEX1ALDH1A1HPGD
SCHEMBL6248872 0.77 GAA (0.55) CA1CA9
SCHEMBL9122666 0.77 TSHR (0.47) KMT2AL3MBTL1TSHRALDH1A1HPGD
SCHEMBL8869252 0.76 TSHR (0.41) L3MBTL1TSHRHTTCA1CA9
SCHEMBL13544865 0.76 TSHR (0.56) KMT2AL3MBTL1BRD4TSHRHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 — — US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 — — US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 — — EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 — — WO disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 — — EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 — — 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB KMT2A 2770/4885L3MBTL1 2252/4885BRD4 4756/4885

“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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