SCHEMBL21571629

SCHEMBL21571629

CSc1ccc(N2CCN(C(=O)O)CC2)cc1NC(=O)c1coc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 14/20 0.48
▸ KCNH2 Q12809 2/20 0.39
▸ HDAC3 O15379 4/20 0.38
▸ HDAC2 Q92769 4/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC1 Q13547 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
SCHEMBL20352112 0.91 PAICS (0.49) PAICSKCNH2HDAC3HDAC2
SCHEMBL20352111 0.89 SMN1; SMN2 (0.47) PAICSMEN1KMT2A
SCHEMBL20352082 0.88 PAICS (0.51) PAICSKCNH2HDAC3HDAC2HDAC1
SCHEMBL28322401 0.86 PAICS (0.54) PAICS
SCHEMBL21571671 0.85 PAICS (0.43) PAICSHDAC3HDAC2MEN1KMT2A
SCHEMBL20339036 0.85 PAICS (0.42) PAICSKCNH2HDAC3HDAC2
SCHEMBL20352114 0.85 PAICS (0.56) PAICS
SCHEMBL20339061 0.83 PAICS (0.60) PAICS
SCHEMBL21571616 0.79 PAICS (0.44) PAICS
SCHEMBL20339065 0.79 PAICS (0.53) PAICS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 — — EP disclosed
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 — — US disclosed
US-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 — — 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 (2 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-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER PAICS, CDK12, CDK13 PAICS 1/4885KCNH2 2442/4885HDAC3 558/4885
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer PAICS, CDK13, CDK12 PAICS 1/4885KCNH2 2703/4885HDAC3 631/4885

“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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