SCHEMBL1310029

SCHEMBL1310029

COC(=O)C(Cc1ccc(OC)cc1)NC(=O)CCc1c[nH]cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ HDAC1 Q13547 7/20 0.46
▸ HDAC6 Q9UBN7 7/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ PARP3 Q9Y6F1 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL1310026 1.00 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC6PARP1PARP3
SCHEMBL1310698 0.92 KMT2A (0.49) ALDH1A1HDAC1HDAC6HDAC3HDAC4
SCHEMBL1310695 0.92 KMT2A (0.49) ALDH1A1HDAC1HDAC6HDAC3HDAC4
SCHEMBL1310421 0.85 KMT2A (0.55) POLBKMT2A
SCHEMBL1310417 0.85 KMT2A (0.55) POLBKMT2A
SCHEMBL1308795 0.83 ATM (0.53) POLBKMT2A
SCHEMBL1308801 0.83 ATM (0.53) POLBKMT2A
SCHEMBL1308263 0.82 GAA (0.39) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL2318816 0.82 GAA (0.39) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL7382971 0.81 ATM (0.48) ALDH1A1HDAC8

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-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 — — US disclosed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 — — EP 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-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS CYP2D6, CYP51A1, CYP2C19 ALDH1A1 319/4885HDAC1 4084/4885HDAC6 4082/4885

“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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