SCHEMBL48869

SCHEMBL48869

CC(=O)NCCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.53
F13A1 P00488 1/20 0.53
RECQL P46063 1/20 0.53
TBXAS1 P24557 2/20 0.51
FES P07332 1/20 0.51
RET P07949 1/20 0.51
MARK3 P27448 1/20 0.51
TYK2 P29597 1/20 0.51
FLT4 P35916 1/20 0.51
SYK P43405 1/20 0.51
CLK2 P49760 1/20 0.51

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
SCHEMBL20162470 0.90 EPHX2 (0.59) POLBTBXAS1FESRETMARK3
SCHEMBL11006572 0.88 FES (0.61) TBXAS1FESRETMARK3TYK2
SCHEMBL25784651 0.86 HDAC2 (0.61) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL3558312 0.85 MEN1 (0.63) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL30208757 0.85 MEN1 (0.63) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL27772562 0.84 RAB9A (0.59) POLBHDAC2HDAC8HDAC6KMT2A
SCHEMBL12313357 0.84 HDAC2 (0.56) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL2755877 0.84 HDAC2 (0.56) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL13853784 0.84 FES (0.56) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL23222377 0.83 HDAC2 (0.58) HDAC2HDAC8HDAC6KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
CN-101611005-A Be used as the acetophenones of the replacement of PDE4 inhibitor LEO PHARMA AS (DK) 2009-12-23 CN claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
CN-1190395-A Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds RHONE POULENC RORER PHARMA (US) 1998-08-12 CN claimed
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
US-11292801-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-04-05 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
CN-1190395-A Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds RHONE POULENC RORER PHARMA (US) 1998-08-12 CN 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 (5 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-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B POLB 1669/4885HDAC2 555/4885HDAC8 951/4885
US-11292801-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN2, CAPN1 POLB 2776/4885HDAC2 481/4885HDAC8 163/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 POLB 606/4885HDAC2 91/4885HDAC8 186/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 POLB 308/4885HDAC2 2025/4885HDAC8 2575/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 POLB 590/4885HDAC2 87/4885HDAC8 185/4885

“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.