SCHEMBL195863

SCHEMBL195863

COc1ccc(C(C)(C)C)cc1CC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR1 P25103 1/20 0.39
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
IDH1 O75874 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 1/20 0.36
TDO2 P48775 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL799826 0.80 MAPT (0.43) MAPTMAPK1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL7854190 0.79 KMT2A (0.47) MEN1HTTKMT2ATACR1ATM
SCHEMBL784604 0.78 MRGPRX4 (0.46) MEN1KMT2AMAPTMAPK1L3MBTL1
SCHEMBL15829272 0.78 SLC6A4 (0.48) MEN1HTTKMT2ATACR1
SCHEMBL30861233 0.77 IDO1 (0.56) HSD17B10CA1CA2CA9
SCHEMBL2990425 0.77 SLC6A4 (0.43) MEN1KMT2AALDH1A1KDM4E
SCHEMBL11825653 0.77 IDO1 (0.56) HSD17B10CA1CA2CA9
SCHEMBL5479089 0.77 ACHE (0.50) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL8864343 0.77 PON1 (0.43) MEN1HTTKMT2ATACR1ATM
SCHEMBL3207839 0.77 MEN1 (0.46) MEN1HTTKMT2ATACR1ATM

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
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
WO-2010098488-A1 ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098488-A1 ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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 (9 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CASP1 116/4885HSD17B10 640/4885MEN1 4633/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CASP1 116/4885HSD17B10 640/4885MEN1 4633/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CASP1 116/4885HSD17B10 640/4885MEN1 4633/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CASP1 116/4885HSD17B10 640/4885MEN1 4633/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP CASP1 135/4885HSD17B10 624/4885MEN1 4655/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 CASP1 457/4885HSD17B10 2065/4885MEN1 387/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CASP1 126/4885HSD17B10 617/4885MEN1 4651/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CASP1 116/4885HSD17B10 640/4885MEN1 4633/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 CASP1 110/4885HSD17B10 626/4885MEN1 4648/4885

“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.