SCHEMBL10022397

SCHEMBL10022397

CC(C)c1ccc(-c2nnco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 1.00
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ TLR8 Q9NR97 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL17694561 0.83 NOTUM (0.78) NOTUMLMNAALDH1A1MAPTKDM4E
SCHEMBL2610163 0.81 NOTUM (0.75) NOTUMLMNAALDH1A1MAPTKDM4E
SCHEMBL23451484 0.81 NOTUM (0.68) NOTUMLMNAALDH1A1MAPTKDM4E
SCHEMBL6847886 0.80 NOTUM (0.67) NOTUMLMNAALDH1A1MAPTKDM4E
SCHEMBL28228852 0.79 NOTUM (0.65) NOTUMLMNAALDH1A1MAPTKDM4E
SCHEMBL22166487 0.78 NOTUM (0.60) NOTUMLMNAALDH1A1MAPTHTT
SCHEMBL368913 0.78 NOTUM (0.64) NOTUMLMNAALDH1A1MAPTKDM4E
SCHEMBL9096052 0.78 NOTUM (0.64) NOTUMLMNAALDH1A1MAPTKDM4E
SCHEMBL3537328 0.78 NOTUM (1.00) NOTUMLMNAALDH1A1MAPTKDM4E
SCHEMBL21202026 0.77 NOTUM (0.59) NOTUMLMNAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 — — US disclosed
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 — — US disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 — — US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 — — EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-04-06 — — US disclosed
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2020-11-05 — — US disclosed
EP-3223822-B1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS ENANTA PHARM INC (US) 2020-07-01 — — EP disclosed
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-30 — — US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 — — WO disclosed
WO-2016086134-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2016-06-02 — — WO disclosed
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-05-26 — — US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 — — US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 — — WO disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — 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 (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-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885LMNA 4348/4885ALDH1A1 2372/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885LMNA 2507/4885ALDH1A1 1260/4885
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 NOTUM 2756/4885LMNA 4014/4885ALDH1A1 469/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885LMNA 1919/4885ALDH1A1 658/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA NOTUM 3416/4885LMNA 1872/4885ALDH1A1 2674/4885
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885LMNA 4348/4885ALDH1A1 2372/4885
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885LMNA 4348/4885ALDH1A1 2372/4885
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885LMNA 4348/4885ALDH1A1 2372/4885
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 NOTUM 1604/4885LMNA 4620/4885ALDH1A1 2549/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT NOTUM 1514/4885LMNA 4583/4885ALDH1A1 2355/4885

“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.

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