SCHEMBL16879936

SCHEMBL16879936

COC(=O)c1ccc(Cc2c(C)n(CCO)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ EGFR P00533 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ AR P10275 1/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ TBXA2R P21731 2/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ PPARG P37231 1/20 0.42

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
SCHEMBL18294855 0.91 HPGD (0.49) HDAC1HDAC6EGFRSRCAR
SCHEMBL16880305 0.91 CNR1 (0.48) AR
SCHEMBL16880136 0.88 HDAC1 (0.44) HDAC1HDAC6EGFRSRCAR
SCHEMBL16879907 0.88 HDAC1 (0.44) HDAC1HDAC6EGFRSRCAR
SCHEMBL16880091 0.85 OPRK1 (0.52) —
SCHEMBL16880155 0.85 CNR1 (0.48) PTGDR2
SCHEMBL16880054 0.85 PTGDR2 (0.44) HDAC1HDAC6EGFRSRCAR
SCHEMBL16879879 0.84 PTGDR2 (0.53) PLA2G2APTGDR2
SCHEMBL16880308 0.84 CNR1 (0.60) —
SCHEMBL16879910 0.84 PTGDR2 (0.42) HDAC1HDAC6EGFRSRCPLA2G2A

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 6 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
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 HDAC1 2/4885HDAC6 4/4885EGFR 3679/4885

“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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