SCHEMBL18294890

SCHEMBL18294890

Cc1c(Cc2ccc(C(N)=O)cc2)c2ccccc2n1CC1CN(CC(C)(C)F)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ PTGDR2 Q9Y5Y4 7/20 0.37
▸ PLA2G2A P14555 3/20 0.37
▸ PLA2G10 O15496 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL18294882 0.93 GAA (0.40) HDAC1HDAC6NPC1PTGDR2PLA2G2A
SCHEMBL16880090 0.90 PTGER4 (0.39) HDAC1HDAC6PTGDR2PLA2G2A
SCHEMBL16879874 0.89 HDAC6 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL16880386 0.83 CNR2 (0.40) HDAC1HDAC6PLA2G2A
SCHEMBL18294870 0.83 NPC1 (0.39) HDAC1HDAC6NPC1PLA2G2APLA2G10
SCHEMBL18294871 0.83 HDAC1 (0.39) HDAC1HDAC6NPC1PTGDR2PLA2G2A
SCHEMBL16880151 0.83 HDAC6 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL18294889 0.82 HDAC1 (0.37) HDAC1HDAC6NPC1PTGDR2PLA2G2A
SCHEMBL18294869 0.82 ESR1 (0.38) HDAC1HDAC6PTGDR2PLA2G2APLA2G10
SCHEMBL16879919 0.82 PTGER4 (0.41) HDAC1HDAC6PLA2G2ARORC

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 2 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 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

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 HDAC1 2/4885HDAC6 4/4885NPC1 1012/4885

“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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