SCHEMBL1933481

SCHEMBL1933481

O=C(Nc1ccccc1)c1cccc(B(O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
KCNK3 O14649 4/20 0.61
KCNK9 Q9NPC2 3/20 0.61
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SIRT1 Q96EB6 2/20 0.58
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.53
PTPN1 P18031 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3789938 0.90 KCNK3 (0.71) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL3786940 0.86 TRPV1 (0.59) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL27194943 0.86 SMN1; SMN2 (0.63) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL722066 0.86 MEN1 (0.73) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL2555750 0.86 NPC1 (0.69) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL29954699 0.86 RHOC (0.54) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL8374911 0.84 HDAC1 (0.85) HDAC1HDAC2HDAC8HDAC6KCNK3
SCHEMBL2556521 0.82 LMNA (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL31224655 0.82 RAB9A (0.72) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5492560 0.81 MAPT (0.76) KCNK3KCNK9KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343081-A MAT2A inhibitor, pharmaceutical composition and application thereof 南京正大天晴制药有限公司 2024-01-05 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-9676766-B2 Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-13 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 WO disclosed
US-6919382-B2 Preparation and uses of conjugated solid supports for boronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2005-07-19 US disclosed
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids GOVERNORS OF THE UNIVERSITY OF ALBERTA, THE (CA) 2003-03-06 US 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 HDAC1 158/4885HDAC2 534/4885HDAC8 624/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 HDAC1 158/4885HDAC2 534/4885HDAC8 624/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 HDAC1 1746/4885HDAC2 1363/4885HDAC8 1693/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 HDAC1 436/4885HDAC2 339/4885HDAC8 813/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 HDAC1 158/4885HDAC2 534/4885HDAC8 624/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 HDAC1 158/4885HDAC2 534/4885HDAC8 624/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 HDAC1 570/4885HDAC2 408/4885HDAC8 980/4885
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids SLC43A1, SBDS, SLC7A5 HDAC1 3929/4885HDAC2 3467/4885HDAC8 3870/4885

“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.