SCHEMBL14091384

SCHEMBL14091384

CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5ccc6nsnc6c5)[nH]c4c3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.59
▸ HDAC3 O15379 4/20 0.59
▸ HDAC1 Q13547 4/20 0.59
▸ HDAC8 Q9BY41 4/20 0.59
▸ HDAC2 Q92769 3/20 0.59
▸ CHEK2 O96017 2/20 0.45
▸ DDR2 Q16832 1/20 0.45
▸ MMP2 P08253 3/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ MMP8 P22894 3/20 0.44
▸ MMP13 P45452 3/20 0.44
▸ HPSE Q9Y251 2/20 0.43
▸ PRSS12 P56730 1/20 0.43
▸ DGAT1 O75907 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL14091383 0.93 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14115797 0.85 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14115844 0.85 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL1509489 0.85 HDAC3 (0.57) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091373 0.84 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091376 0.84 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091382 0.82 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091400 0.82 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091371 0.82 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091363 0.82 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC8HDAC2

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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