SCHEMBL126808

SCHEMBL126808

Cc1cnc(C(C)(C)O)s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.43
RAB9A P51151 6/20 0.35
FDPS P14324 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 1/20 0.32
PKM P14618 2/20 0.31
KDR P35968 1/20 0.31
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL9609561 0.81 NOS1 (0.46) NOS1RAB9AFDPSSMN1; SMN2NPC1
SCHEMBL14151845 0.79 NOS1 (0.50) NOS1RAB9AFDPSSMN1; SMN2NPC1
SCHEMBL23870074 0.78 NOS1 (0.36) NOS1RAB9AFDPSSMN1; SMN2
SCHEMBL22744503 0.78 NOS1 (0.36) NOS1RAB9AFDPSSMN1; SMN2
SCHEMBL26066985 0.77 NOS1 (0.43) NOS1RAB9AFDPSSMN1; SMN2CNR2
SCHEMBL26195406 0.77 NOS1 (0.43) NOS1RAB9AFDPSCNR2KDR
SCHEMBL129440 0.77 MLYCD (0.40) NOS1FDPS
SCHEMBL17922323 0.77 NOS1 (0.35) NOS1RAB9A
SCHEMBL17920928 0.77 NOS1 (0.35) NOS1RAB9A
SCHEMBL20692099 0.76 NOS1 (0.32) NOS1

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-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
US-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2021-12-21 US disclosed
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-06-10 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
EP-1436290-B1 ALKYNE-ARYL-NAPHTHYRIDIN-4(1H)-0NE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITOR MERCK FROSST CANADA LTD (CA) 2013-09-18 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed
WO-2004021987-A2 TREATMENT OF RHEUMATOID ARTHRITIS BY INHIBITION OF PDE4 MERCK & CO., INC. (US) 2004-03-18 WO disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 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 (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-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NOS1 1263/4885RAB9A 2131/4885FDPS 145/4885
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP NOS1 2064/4885RAB9A 1435/4885FDPS 892/4885
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP NOS1 2064/4885RAB9A 1435/4885FDPS 892/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NOS1 1307/4885RAB9A 2135/4885FDPS 113/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 NOS1 1052/4885RAB9A 1335/4885FDPS 656/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 NOS1 546/4885RAB9A 3699/4885FDPS 2659/4885
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 NOS1 1263/4885RAB9A 2131/4885FDPS 145/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD NOS1 1834/4885RAB9A 290/4885FDPS 31/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NOS1 1433/4885RAB9A 2481/4885FDPS 202/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 NOS1 1066/4885RAB9A 2999/4885FDPS 233/4885

“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.