SCHEMBL9691071

SCHEMBL9691071

CCNC(=O)c1cccc(CC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.55
SMYD3 Q9H7B4 1/20 0.55
PARP1 P09874 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHRM3 P20309 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MMP13 P45452 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL14233914 0.88 KAT6A (0.58) KAT6APARP1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL9713054 0.87 SMN1; SMN2 (0.67) PARP1SMN1; SMN2KMT2AL3MBTL1HDAC3
SCHEMBL13761327 0.86 PARP1 (0.51) PARP1SMN1; SMN2KMT2AL3MBTL1GAA
SCHEMBL2542308 0.86 PARP1 (0.51) PARP1SMN1; SMN2KMT2AL3MBTL1GAA
SCHEMBL27272636 0.86 SMN1; SMN2 (0.54) PARP1SMN1; SMN2KMT2AL3MBTL1GAA
SCHEMBL16248158 0.86 L3MBTL1 (0.69) KAT6ASMYD3SMN1; SMN2L3MBTL1HDAC3
SCHEMBL14081049 0.86 LOXL2 (0.61) PARP1SMN1; SMN2KMT2AL3MBTL1GAA
SCHEMBL17033979 0.86 PARP1 (0.51) PARP1SMN1; SMN2KMT2AL3MBTL1GAA
SCHEMBL21872371 0.86 L3MBTL1 (0.51) PARP1SMN1; SMN2KMT2AL3MBTL1GAA
SCHEMBL17790216 0.85 PARP1 (0.53) PARP1SMN1; SMN2GAAHSD17B10MRGPRX4

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
WO-2023093787-A1 BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR 成都奥睿药业有限公司 2023-06-01 WO disclosed
US-10357477-B2 Anticancer compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-07-23 US disclosed
US-20180071258-A1 ANTICANCER COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-15 US disclosed
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 US disclosed
US-20170152287-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS UNIVERSITY OF ROCHESTER 2017-06-01 US disclosed
US-9557336-B2 Methods and compositions for site-specific labeling of peptides and proteins UNIVERSITY OF ROCHESTER (US) 2017-01-31 US disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-09-15 US disclosed
US-9315542-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 US disclosed
WO-2014039715-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS UNIVERSITY OF ROCHESTER (US) 2014-03-13 WO disclosed
WO-2014011695-A2 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-01-16 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
EP-0471756-A4 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF 1992-04-08 EP disclosed
EP-0471756-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF. STERLING WINTHROP INC (US) 1992-02-26 EP 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 (7 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-20170152287-A1 METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS PTMS, ACP1, QPCTL KAT6A 2824/4885SMYD3 2938/4885PARP1 4650/4885
US-20180071258-A1 ANTICANCER COMPOUNDS RB1, MCL1, TP53 KAT6A 2919/4885SMYD3 1515/4885PARP1 367/4885
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KAT6A 23/4885SMYD3 1839/4885PARP1 499/4885
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD KAT6A 2599/4885SMYD3 3715/4885PARP1 3161/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KAT6A 3581/4885SMYD3 4006/4885PARP1 1720/4885
US-10357477-B2 Anticancer compounds RB1, MCL1, TP53 KAT6A 2919/4885SMYD3 1515/4885PARP1 367/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KAT6A 21/4885SMYD3 2177/4885PARP1 455/4885

“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.