SCHEMBL3226196

SCHEMBL3226196

Nc1ccccc1NC(=O)C=Cc1ccc(C(CCCN2C[C@@H]3C[C@H]2CO3)C(=O)O)nc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.44
▸ HDAC2 Q92769 8/20 0.44
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3226156 1.00 HDAC1 (0.44) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL2638700 0.89 HDAC1 (0.44) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL3225718 0.89 HDAC1 (0.44) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL3225704 0.89 HDAC1 (0.44) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL2638696 0.89 HDAC1 (0.44) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL13458174 0.89 HDAC1 (0.42) HDAC1HDAC2HDAC3HDAC6
SCHEMBL10039321 0.89 HDAC1 (0.41) HDAC1HDAC2HDAC3HDAC6
SCHEMBL13458756 0.81 HDAC1 (0.45) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL10039309 0.79 HDAC1 (0.44) HDAC1HDAC2KDM1AMAOAHDAC3
SCHEMBL10039313 0.79 HDAC1 (0.47) HDAC1HDAC2KDM1AMAOAHDAC3

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-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 — — 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 HDAC1 730/4885HDAC2 1799/4885KDM1A 1406/4885

“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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