SCHEMBL16879874

SCHEMBL16879874

Cc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CC1CN(CC(C)(C)F)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 19/20 0.51
▸ HDAC1 Q13547 12/20 0.51
▸ HDAC8 Q9BY41 8/20 0.47
▸ HDAC2 Q92769 7/20 0.47
▸ HDAC10 Q969S8 4/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ NCOR2 Q9Y618 2/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.40
▸ ADAM17 P78536 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
SCHEMBL16880151 0.93 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL16879938 0.91 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL16880090 0.90 PTGER4 (0.39) HDAC6HDAC1
SCHEMBL18294890 0.89 HDAC1 (0.39) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL16880158 0.85 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL16879875 0.85 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL16879891 0.84 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL16880386 0.83 CNR2 (0.40) HDAC6HDAC1
SCHEMBL16880336 0.83 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL16879860 0.83 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC2HDAC10

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 8 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

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 2/4885HDAC8 9/4885

“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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