SCHEMBL1106504

SCHEMBL1106504

CC(C)c1nnc(C(C)C)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
ALDH1A1 P00352 8/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.37
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21323168 0.86 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL18552683 0.86 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL18995257 0.86 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL24956330 0.86 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL10197117 0.82
SCHEMBL19454251 0.82
SCHEMBL22064870 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL18768237 0.82 LMNA (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL19298170 0.80
SCHEMBL11768793 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
WO-2024103400-A1 POLYCYCLIC COMPOUND AS GPR75 ACTIVATOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 水木未来(北京)科技有限公司 2024-05-23 WO disclosed
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20090054475-A1 treatment of Type II diabetes and other diseases associated with poor glycemic control METABOLEX, INC. (US) 2009-02-26 US disclosed
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists MERCK & CO., INC. (US) 2008-10-09 US disclosed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 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 (12 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-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRM5, GRIK5, GRM1 SMN1; SMN2 1105/4885ALDH1A1 414/4885RAB9A 1473/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 SMN1; SMN2 4815/4885ALDH1A1 289/4885RAB9A 4470/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 SMN1; SMN2 4823/4885ALDH1A1 3026/4885RAB9A 2793/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL SMN1; SMN2 2282/4885ALDH1A1 2445/4885RAB9A 3648/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 SMN1; SMN2 4720/4885ALDH1A1 3041/4885RAB9A 3647/4885
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 SMN1; SMN2 1431/4885ALDH1A1 989/4885RAB9A 1858/4885
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS SMN1; SMN2 1463/4885ALDH1A1 2777/4885RAB9A 1581/4885
US-20090054475-A1 treatment of Type II diabetes and other diseases associated with poor glycemic control SLC5A2, IAPP, GPR119 SMN1; SMN2 1047/4885ALDH1A1 1333/4885RAB9A 2056/4885
US-20070112045-A1 Triazole ppar modulators PPARD, PPARA, PPARG SMN1; SMN2 4750/4885ALDH1A1 1274/4885RAB9A 4425/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 SMN1; SMN2 3927/4885ALDH1A1 2289/4885RAB9A 2738/4885
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists S1PR1, S1PR3, S1PR5 SMN1; SMN2 2376/4885ALDH1A1 740/4885RAB9A 2827/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 SMN1; SMN2 368/4885ALDH1A1 1358/4885RAB9A 913/4885

“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.