SCHEMBL3345980

SCHEMBL3345980

CC(C)C1=NNC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 2/20 0.41
PDE4B Q07343 5/20 0.38
PDE5A O76074 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
PDE3A Q14432 3/20 0.35
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE3B Q13370 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL5679231 0.78 RAB9A (0.39) RAB9ASMN1; SMN2LMNANPC1PDE4B
SCHEMBL21703665 0.77 LMNA (0.38) RAB9ASMN1; SMN2LMNANPC1PDE4B
SCHEMBL20206959 0.71 RAB9A (0.33) RAB9ASMN1; SMN2LMNANPC1
SCHEMBL3165004 0.69 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2LMNANPC1PDE4B
SCHEMBL138271 0.69
SCHEMBL1092516 0.65
SCHEMBL17808532 0.64 KCNH2 (0.31) KCNH2
SCHEMBL3186703 0.64 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2LMNANPC1PDE4B
SCHEMBL12190580 0.64
SCHEMBL13938473 0.62 NPC1 (0.46) RAB9ASMN1; SMN2LMNANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
US-8399381-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8399381-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8399381-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same TANAKA YASUSHI 2010-06-24 US disclosed
US-7544694-B2 Substituted diaza-spiro-[5.5]-undecane derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-09 US disclosed
US-20090062266-A1 OXAZOLIDINONE COMPOUNDS, AND COMPOSITIONS AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2009-03-05 US disclosed
EP-1466527-B1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
EP-1466527-B1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
CN-100349517-C Fused heterocyclic sulfonylurea compound, herbicide containing the same and method of controlling weed with the same SUMITOMO CHEM TAKEDA AGRO CO (JP) 2007-11-21 CN disclosed
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 US disclosed
CN-1617666-A Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weeds using the same SUMITOMO CHEM TAKEDA AGRO CO (JP) 2005-05-18 CN disclosed
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-10 US disclosed
EP-1466527-A1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-10-13 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 (10 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-20090062266-A1 OXAZOLIDINONE COMPOUNDS, AND COMPOSITIONS AND METHODS RELATED THERETO MAOA, MAOB, AOC2 RAB9A 1640/4885SMN1; SMN2 1819/4885LMNA 4540/4885
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same NOTUM, WEE1, DDT RAB9A 1275/4885SMN1; SMN2 3839/4885LMNA 3500/4885
US-20070232636-A1 Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists NPSR1, PROKR2, KISS1R RAB9A 2247/4885SMN1; SMN2 493/4885LMNA 931/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 RAB9A 893/4885SMN1; SMN2 253/4885LMNA 4437/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 RAB9A 890/4885SMN1; SMN2 249/4885LMNA 4418/4885
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 RAB9A 1274/4885SMN1; SMN2 4883/4885LMNA 2060/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 RAB9A 447/4885SMN1; SMN2 122/4885LMNA 4434/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 RAB9A 736/4885SMN1; SMN2 191/4885LMNA 4699/4885
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same NOTUM, WEE1, DDT RAB9A 1361/4885SMN1; SMN2 3664/4885LMNA 3357/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 RAB9A 447/4885SMN1; SMN2 122/4885LMNA 4434/4885

“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.