SCHEMBL18294871

SCHEMBL18294871

Cc1c(Cc2ccc(C(N)=O)cc2)c2ccccc2n1CCCN1CCN(CC(C)(C)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ PLA2G2A P14555 2/20 0.37
▸ PLA2G10 O15496 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL18294870 0.98 NPC1 (0.39) HDAC1HDAC6CNR2NPC1PLA2G2A
SCHEMBL16880097 0.89 SCARB1 (0.43) HDAC1HDAC6CNR2PLA2G2ACNR1
SCHEMBL16880336 0.89 HDAC6 (0.50) HDAC1HDAC6
SCHEMBL16879860 0.88 HDAC6 (0.50) HDAC1HDAC6
SCHEMBL16879926 0.88 HRH1 (0.42) HDAC1HDAC6CNR2PLA2G2ACNR1
SCHEMBL16879875 0.84 HDAC6 (0.52) HDAC1HDAC6
SCHEMBL16880198 0.83 PTGER4 (0.44) NPC1CNR1KDM4E
SCHEMBL18294890 0.83 HDAC1 (0.39) HDAC1HDAC6NPC1PLA2G2APLA2G10
SCHEMBL18294869 0.81 ESR1 (0.38) HDAC1HDAC6PLA2G2APLA2G10CNR1
SCHEMBL18294882 0.81 GAA (0.40) HDAC1HDAC6NPC1PLA2G2APTGDR2

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 4/4885CNR2 866/4885

“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.

Send feedback