SCHEMBL16879910

SCHEMBL16879910

COC(=O)c1ccc(Cc2c(C)n(CCO)c3ccccc23)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PTGER4 P35408 3/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ PLA2G2A P14555 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SCARB1 Q8WTV0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL18294852 0.92 CNR2 (0.45) PTGDR2RAB9AMAPTPTGER4MAPK1
SCHEMBL16880142 0.86 PTGER4 (0.39) PTGDR2RAB9AMAPTPTGER4HDAC1
SCHEMBL16880015 0.86 CNR1 (0.45) CNR1
SCHEMBL16880064 0.86 CNR1 (0.55) CNR1
SCHEMBL16880152 0.85 PTGER4 (0.39) PTGDR2RAB9AMAPTPTGER4HDAC1
SCHEMBL16879936 0.84 HDAC1 (0.47) PTGDR2RAB9AHDAC1HDAC6PLA2G2A
SCHEMBL16880305 0.76 CNR1 (0.48) CNR1
SCHEMBL18294855 0.75 HPGD (0.49) MAPTHDAC1HDAC6PLA2G2AMAPK1
SCHEMBL16880180 0.75 HDAC6 (0.47) HDAC1HDAC6CNR1
SCHEMBL16880257 0.74 CNR1 (0.51) CNR1

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 PTGDR2 3677/4885RAB9A 2936/4885MAPT 280/4885

“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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