SCHEMBL14091372

SCHEMBL14091372

CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5ccc6c(c5)CCCN6C)[nH]c4c3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.65
▸ HDAC3 O15379 3/20 0.65
▸ HDAC1 Q13547 3/20 0.65
▸ HDAC8 Q9BY41 3/20 0.65
▸ HDAC2 Q92769 2/20 0.65
▸ DDR2 Q16832 1/20 0.51
▸ CHEK2 O96017 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ ALK Q9UM73 2/20 0.44
▸ INSR P06213 1/20 0.44
▸ MLLT1 Q03111 3/20 0.44
▸ LCK P06239 2/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ KIT P10721 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ ERBB4 Q15303 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ TRPV1 Q8NER1 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
SCHEMBL14091373 0.93 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091383 0.84 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14115824 0.82 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229530 0.80 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14090293 0.79 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091344 0.79 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091398 0.79 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091369 0.79 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12833987 0.79 MMP2 (0.53) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091354 0.79 HDAC6 (0.61) 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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