SCHEMBL16879912

SCHEMBL16879912

Cc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.57
▸ HDAC1 Q13547 10/20 0.57
▸ HDAC10 Q969S8 5/20 0.53
▸ HDAC8 Q9BY41 5/20 0.53
▸ HDAC2 Q92769 4/20 0.53
▸ HDAC3 O15379 3/20 0.53
▸ NCOR2 Q9Y618 3/20 0.53
▸ HDAC4 P56524 2/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL16880012 0.93 HDAC6 (0.56) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16888831 0.92 HDAC6 (0.57) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16880188 0.91 HDAC6 (0.54) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16880114 0.91 HDAC6 (0.56) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16880200 0.90 HDAC1 (0.53) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16880029 0.89 HDAC6 (0.54) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16879875 0.89 HDAC6 (0.52) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16880155 0.88 CNR1 (0.48) —
SCHEMBL16880121 0.85 HDAC6 (0.52) HDAC6HDAC1HDAC10HDAC8HDAC2
SCHEMBL16880164 0.85 HDAC6 (0.52) HDAC6HDAC1HDAC10HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 — — US claimed
EP-3089977-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-11-09 — — EP claimed
WO-2015102426-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-07-09 — — WO claimed
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 — — US disclosed
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 — — US disclosed
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 — — US disclosed
EP-3089977-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-11-09 — — EP disclosed
WO-2015102426-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-07-09 — — WO disclosed
WO-2015102426-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-07-09 — — WO 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-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC2, HDAC1, HDAC3 HDAC6 4/4885HDAC1 2/4885HDAC10 11/4885

“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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