SCHEMBL1106972

SCHEMBL1106972

CC(C)C(=O)Nc1ccn(C)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 1/20 0.51
NOTUM Q6P988 1/20 0.46
ELOVL1 Q9BW60 2/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
IDO1 P14902 1/20 0.44
RAF1 P04049 1/20 0.43
GRM5 P41594 1/20 0.43
CTSK P43235 1/20 0.43
GCK P35557 1/20 0.42

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
SCHEMBL16703930 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL16698703 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL16699478 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL11565633 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL18421576 0.79 NPC1 (0.65) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL2629347 0.79 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL2625578 0.79 NPC1 (0.57) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL16703928 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL19116503 0.78 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL12444121 0.78 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US 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
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
EP-2190836-B1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-08-17 EP disclosed
US-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
EP-1751161-B1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2010-07-14 EP disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
US-4166123-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1979-08-28 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 (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-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 SMN1; SMN2 4486/4885ALDH1A1 2394/4885LMNA 2812/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2016/4885ALDH1A1 993/4885LMNA 3510/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL SMN1; SMN2 2282/4885ALDH1A1 2445/4885LMNA 2226/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 1917/4885ALDH1A1 1067/4885LMNA 3512/4885
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS SMN1; SMN2 2473/4885ALDH1A1 2350/4885LMNA 1904/4885

“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.