SCHEMBL190231

SCHEMBL190231

CNC(=O)c1cccc(OBOc2cccc(C(=O)NC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
F10 P00742 2/20 0.48
F2 P00734 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 3/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PLK1 P53350 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL177726 0.83 NPSR1 (0.55) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL30416225 0.82 NPC1 (0.70) HDAC8HDAC6NPC1RAB9AALDH1A1
SCHEMBL3850447 0.82 NPC1 (0.70) HDAC8HDAC6NPC1RAB9AALDH1A1
SCHEMBL3995095 0.82 SMN1; SMN2 (0.52) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL289656 0.82 KMT2A (0.57) NPC1RAB9AALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL30102161 0.81 NPC1 (0.68) HDAC8HDAC6NPC1RAB9AALDH1A1
SCHEMBL177641 0.81 SMN1; SMN2 (0.55) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL1490845 0.80 L3MBTL1 (0.61) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL28212201 0.79 MEN1 (0.65) HDAC8HDAC6NPC1RAB9AF10
SCHEMBL7053844 0.79 HDAC8 (0.73) HDAC8HDAC6NPC1RAB9AF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378250-B2 Tricyclic compound as IRAK4 inhibitor KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-08-05 US disclosed
EP-3885348-B1 NOVEL TRICYCLIC COMPOUND AS IRAK4 INHIBITOR KOREA RES INST CHEMICAL TECH (KR) 2025-02-12 EP disclosed
US-20220009933-A1 NOVEL TRICYCLIC COMPOUND AS IRAK4 INHIBITOR KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-13 US disclosed
EP-3885348-A1 NOVEL TRICYCLIC COMPOUND AS IRAK4 INHIBITOR Korea Research Institute of Chemical Technology (KR) 2021-09-29 EP disclosed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-9562033-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2017-02-07 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
US-20160039783-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2016-02-11 US disclosed
EP-2903983-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2015-08-12 EP disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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-12378250-B2 Tricyclic compound as IRAK4 inhibitor IRAK4, IRAK1, IRAK2 HDAC8 131/4885HDAC6 301/4885NPC1 1453/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB HDAC8 1296/4885HDAC6 2964/4885NPC1 1789/4885
US-20220009933-A1 NOVEL TRICYCLIC COMPOUND AS IRAK4 INHIBITOR IRAK4, IRAK1, IRAK2 HDAC8 116/4885HDAC6 312/4885NPC1 1524/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 HDAC8 3010/4885HDAC6 2092/4885NPC1 2180/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 HDAC8 2033/4885HDAC6 1298/4885NPC1 3467/4885
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R HDAC8 2957/4885HDAC6 2423/4885NPC1 703/4885
US-20160039783-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses POLRMT, MAVS, EIF2AK2 HDAC8 1454/4885HDAC6 1930/4885NPC1 1277/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 HDAC8 1402/4885HDAC6 1105/4885NPC1 250/4885

“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.