SCHEMBL14090266

SCHEMBL14090266

COC(=O)c1ccc2nc(-c3cc(-c4ccc(C(C)C)cc4)ccc3O)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.58
▸ HDAC3 O15379 2/20 0.58
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC2 Q92769 2/20 0.58
▸ HDAC8 Q9BY41 2/20 0.58
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ RHEB Q15382 1/20 0.50
▸ MLKL Q8NB16 1/20 0.49
▸ F2 P00734 2/20 0.48
▸ F10 P00742 2/20 0.48
▸ PLG P00747 2/20 0.48
▸ PLAU P00749 2/20 0.48
▸ PRSS1 P07477 2/20 0.48
▸ PLAT P00750 1/20 0.48
▸ CHEK2 O96017 5/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47

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
SCHEMBL14090246 0.89 KDM4E (0.56) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090213 0.88 ATM (0.58) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL14090203 0.86 SIRT2 (0.60) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL14090221 0.85 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090253 0.83 CYP19A1 (0.59) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL14090238 0.81 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090263 0.80 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090378 0.80 MMP2 (0.50) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090309 0.79 HDAC6 (0.54) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL1509469 0.79 MMP2 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 HDAC6 541/4885HDAC3 911/4885HDAC1 826/4885

“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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