SCHEMBL2000509

SCHEMBL2000509

N#C/C=C/c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
BCHE P06276 1/20 0.39
LY96 Q9Y6Y9 1/20 0.38
METAP2 P50579 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.35
DYRK2 Q92630 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR3 P22607 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ENPP2 Q13822 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.33
ATM Q13315 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
SCHEMBL21457575 1.00 HSD11B1 (0.48) HSD11B1BCHELY96METAP2KMT2A
SCHEMBL10383610 0.84 KDM4E (0.40) KMT2AMEN1KDM4EENPP2
SCHEMBL9015162 0.83 ENPP2 (0.36) HSD11B1KDM4EENPP2
SCHEMBL26709208 0.79 MEN1 (0.33) HSD11B1KMT2AMEN1NPC1HSP90AA1
SCHEMBL11042660 0.78 HSD11B1 (0.53) HSD11B1BCHELY96KMT2AMEN1
SCHEMBL335510 0.78 HSD11B1 (0.53) HSD11B1BCHELY96KMT2AMEN1
SCHEMBL1751871 0.78 HSD11B1 (0.62) HSD11B1BCHELY96METAP2KMT2A
SCHEMBL31613215 0.78 HSD11B1 (0.62) HSD11B1BCHELY96METAP2KMT2A
SCHEMBL297691 0.78 HSD11B1 (0.62) HSD11B1BCHELY96METAP2KMT2A
SCHEMBL8900317 0.78 HSD11B1 (0.62) HSD11B1BCHELY96METAP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606824-B Beta-amino nitrile compound and preparation method thereof 东北师范大学 2023-03-14 CN claimed
CN-111606824-A Beta-amino nitrile compound and preparation method thereof 东北师范大学 2020-09-01 CN claimed
CN-118084727-A Method for preparing nitrile by catalyzing electron-deficient alkene or alkyne through heterogeneous metal manganese catalyst 中国科学院大连化学物理研究所 2024-05-28 CN disclosed
CN-111606824-B Beta-amino nitrile compound and preparation method thereof 东北师范大学 2023-03-14 CN disclosed
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
CN-111606824-A Beta-amino nitrile compound and preparation method thereof 东北师范大学 2020-09-01 CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
CN-110248971-A Copolymer and the optical film for using the copolymer 东曹株式会社 2019-09-17 CN disclosed
EP-2078029-B1 ENANTIOMERICALLY PURE PHOSPHOINDOLE AS HIV INHIBITOR IDENIX PHARMACEUTICALS INC (US) 2014-05-14 EP disclosed
US-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-7960428-B2 (2-carbamoyl-5-chloro-1H-indol-3-yl)-[3-((E)-2-cyano-vinyl)-5-methyl-phenyl]-(S)-phosphinic acid methyl ester; Flaviviruses; bioavailability; pharmacokinetics IDENIX PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-2078029-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
WO-2008042240-A9 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-08-07 WO disclosed
WO-2008042240-A2 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2008-04-10 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 (2 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-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C HSD11B1 1670/4885BCHE 1844/4885LY96 3266/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C HSD11B1 1670/4885BCHE 1844/4885LY96 3266/4885

“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.