SCHEMBL3358264

SCHEMBL3358264

CCC(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 8/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
IKBKB O14920 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.54
MAPK10 P53779 1/20 0.54
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
POLB P06746 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
SCHEMBL24074374 0.89 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13623623 0.87 ALDH1A1 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29623849 0.86 BTK (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29740452 0.86 MAPK1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL111479 0.85 KMT2A (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL637658 0.85 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5189053 0.85 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29543730 0.85 KMT2A (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8619629 0.84 MAPK1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5947666 0.84 KDM4E (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
CN-110305045-A A kind of amides compound and its purposes in treating cancer 成都海创药业有限公司 2019-10-08 CN disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-8962244-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2015-02-24 US disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 US disclosed
US-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2013-08-22 US disclosed
US-8377639-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2013-02-19 US disclosed
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-17 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
WO-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 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 (9 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-20130217685-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 ALDH1A1 3135/4885NPC1 633/4885RAB9A 2958/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 ALDH1A1 1204/4885NPC1 3576/4885RAB9A 1388/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 ALDH1A1 1533/4885NPC1 3715/4885RAB9A 893/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 ALDH1A1 1575/4885NPC1 3734/4885RAB9A 890/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 ALDH1A1 1125/4885NPC1 3830/4885RAB9A 736/4885
US-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 ALDH1A1 4554/4885NPC1 1516/4885RAB9A 2342/4885
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 ALDH1A1 3135/4885NPC1 633/4885RAB9A 2958/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 ALDH1A1 1611/4885NPC1 3716/4885RAB9A 914/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ALDH1A1 2133/4885NPC1 593/4885RAB9A 874/4885

“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.