SCHEMBL12692437

SCHEMBL12692437

Cc1ccc(NC(=O)N2CCc3ccccc32)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 7/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
MAPT P10636 5/20 1.00
NFKB1 P19838 4/20 1.00
NFKB2 Q00653 4/20 1.00
RELA Q04206 4/20 1.00
PKM P14618 3/20 1.00
TP53 P04637 7/20 0.74
MAOB P27338 1/20 0.67
USP2 O75604 2/20 0.63
POLB P06746 1/20 0.62
HTR2C P28335 1/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL15897928 0.89 NPC1 (0.80) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL28367564 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL7099371 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL4868466 0.82 MAPT (0.69) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL382910 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL15881948 0.81 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL12692444 0.80 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL1574937 0.80 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL15879125 0.80 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL12692434 0.80 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299131-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NATIONAL INSTITUTES OF HEALTH 2021-09-30 US disclosed
US-10953017-B2 Treatment of neurodegenerative diseases, causation of memory enhancement, and assay for screening compounds for such SOUTHERN RESEARCH INSTITUTE (US) 2021-03-23 US disclosed
US-20200171040-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH SOUTHERN RES INST (US) 2020-06-04 US disclosed
US-20190083505-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NATIONAL INSTITUTES OF HEALTH 2019-03-21 US disclosed
US-9980969-B2 Treatment of neurodegenerative diseases, causation of memory enhancement, and assay for screening compounds for such SOUTHERN RESEARCH INSTITUTE (US) 2018-05-29 US disclosed
US-9980969-B2 Treatment of neurodegenerative diseases, causation of memory enhancement, and assay for screening compounds for such SOUTHERN RESEARCH INSTITUTE (US) 2018-05-29 US disclosed
US-20160022691-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH SOUTHERN RES INST (US) 2016-01-28 US disclosed
US-20160022691-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH SOUTHERN RES INST (US) 2016-01-28 US disclosed
US-9095596-B2 Treatment of neurodegenerative diseases, causation of memory enhancement, and assay for screening compounds for such SOUTHERN RESEARCH INSTITUTE (US) 2015-08-04 US disclosed
US-9095596-B2 Treatment of neurodegenerative diseases, causation of memory enhancement, and assay for screening compounds for such SOUTHERN RESEARCH INSTITUTE (US) 2015-08-04 US disclosed
US-20120245166-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH SOUTHERN RESEARCH INSTITUTE (US) 2012-09-27 US disclosed
US-20120245166-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH SOUTHERN RESEARCH INSTITUTE (US) 2012-09-27 US disclosed
WO-2011047129-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH SOUTHERN RESEARCH INSTITUTE (US) 2011-04-21 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 (6 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-20160022691-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NFKBIA, NFRKB, TFEB NPC1 489/4885RAB9A 2424/4885SMN1; SMN2 33/4885
US-20200171040-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NFKBIA, NFRKB, TFEB NPC1 467/4885RAB9A 2402/4885SMN1; SMN2 29/4885
US-20190083505-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NFKBIA, NFRKB, TFEB NPC1 467/4885RAB9A 2402/4885SMN1; SMN2 29/4885
US-20210299131-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NFKBIA, NFRKB, TFEB NPC1 467/4885RAB9A 2402/4885SMN1; SMN2 29/4885
US-20120245166-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NFKBIA, NFRKB, TFEB NPC1 467/4885RAB9A 2402/4885SMN1; SMN2 29/4885
US-10953017-B2 Treatment of neurodegenerative diseases, causation of memory enhancement, and assay for screening compounds for such NFKBIA, NFRKB, TFEB NPC1 467/4885RAB9A 2402/4885SMN1; SMN2 29/4885

“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.