SCHEMBL4310554

SCHEMBL4310554

CC(C)(C)OC(=O)Nc1cc(C#Cc2ccccc2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 5/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ HAO1 Q9UJM8 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ HNF4A P41235 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ CYP17A1 P05093 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL1706042 0.85 PTGES (0.43) PTGESPTPN11RXFP1FFAR1HNF4A
SCHEMBL4310561 0.84 GABRA5 (0.43) RAB9APTPN11RXFP1MEN1MAPT
SCHEMBL4300793 0.83 KCNQ4 (0.45) RAB9ANPC1PTPN11RXFP1MEN1
SCHEMBL7043137 0.79 PTPN11 (0.59) RAB9ANPC1PTPN11MEN1MAPT
SCHEMBL5557083 0.79 KCNQ4 (0.47) PTPN11CYP17A1
SCHEMBL5869163 0.78 NPC1 (0.48) RAB9ANPC1MAPTHTTPOLB
SCHEMBL23288019 0.78 RXFP1 (0.42) RAB9ANPC1PTPN11RXFP1MAPT
SCHEMBL15614546 0.78 MAPT (0.51) RXFP1MEN1MAPTHTTKMT2A
SCHEMBL661640 0.77 RAB9A (0.56) RAB9ANPC1RXFP1MEN1MAPT
SCHEMBL5869021 0.77 GRM5 (0.40) RXFP1FFAR1FFAR4CYP17A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 — — EP disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
EP-1939204-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2013-01-02 — — EP disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
EP-1939204-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 — — EP 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 VCP 4239/4885RAB9A 2828/4885NPC1 3015/4885

“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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