SCHEMBL9717422

SCHEMBL9717422

O=C(O)NCc1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
CACNA1G O43497 1/20 0.49
CACNA1H O95180 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GSK3B P49841 1/20 0.47
NLRP3 Q96P20 1/20 0.47
F2 P00734 1/20 0.47
KLKB1 P03952 1/20 0.47
TRPA1 O75762 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
FAAH O00519 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL14487692 0.87 NLRP3 (0.60) HDAC1HDAC8MAOAMAPTALDH1A1
SCHEMBL6015699 0.86 KDM4E (0.62) HDAC1HDAC8CACNA1GCACNA1HCACNA1I
SCHEMBL27596815 0.86 HDAC1 (0.50) HDAC1HDAC8CACNA1GCACNA1HCACNA1I
SCHEMBL13415005 0.83 TSHR (0.57) HDAC1HDAC8CACNA1GCACNA1HCACNA1I
SCHEMBL8531291 0.82 ERCC1 (0.56) HDAC1HDAC8CACNA1GCACNA1HCACNA1I
SCHEMBL31369927 0.81 HDAC1 (0.49) HDAC1HDAC8CACNA1GCACNA1HCACNA1I
SCHEMBL4301182 0.80 EPHX2 (0.59) HDAC1HDAC8MAPTGSK3BKLKB1
SCHEMBL4892862 0.80 EPHX1 (0.61) HDAC1HDAC8KDM1AMAOAMAOB
SCHEMBL29792562 0.79 L3MBTL1 (0.49) HDAC1HDAC8CACNA1GCACNA1HCACNA1I
SCHEMBL3425854 0.79 NPC1 (0.56) HDAC1HDAC8CACNA1GCACNA1HCACNA1I

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
WO-2024121072-A1 DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER AND INFECTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-06-13 WO disclosed
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains THE SCRIPPS RESEARCH INSTITUTE 2024-04-02 US disclosed
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-07 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS THE SCRIPPS RESEARCH INSTITUTE 2022-06-30 US disclosed
EP-3946604-A1 BENZOPYRANE AND IMIDAZOLE DERIVATIVES USEFUL FOR THE STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS The Scripps Research Institute (US) 2022-02-09 EP disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 WO disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 EP disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
WO-1992000737-A1 COMPOSITION FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND PROCESS FOR PREPARING THE SAME BIOREX KUTATÓ-FEJLESZTO^' KFT. (HU) 1992-01-23 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 (8 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-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 HDAC1 2421/4885HDAC8 2138/4885CACNA1G 4817/4885
US-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS TTR, MAP1LC3B, SAAL1 HDAC1 4457/4885HDAC8 4623/4885CACNA1G 2419/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HDAC1 274/4885HDAC8 1954/4885CACNA1G 3783/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HDAC1 274/4885HDAC8 1954/4885CACNA1G 3783/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HDAC1 274/4885HDAC8 1954/4885CACNA1G 3783/4885
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains TTR, MAP1LC3B, SAAL1 HDAC1 4457/4885HDAC8 4623/4885CACNA1G 2419/4885
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 HDAC1 2421/4885HDAC8 2138/4885CACNA1G 4817/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HDAC1 274/4885HDAC8 1954/4885CACNA1G 3783/4885

“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.