SCHEMBL10167044

SCHEMBL10167044

CC(=O)N1c2ccccc2CC1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 1.00
ALDH1A1 P00352 7/20 0.58
NPC1 O15118 2/20 0.58
PKM P14618 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
SLC22A12 Q96S37 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
ALOX15 P16050 1/20 0.56
MCL1 Q07820 1/20 0.55
CYP2D6 P10635 1/20 0.53
SPR P35270 1/20 0.53

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
SCHEMBL5523654 1.00 NOTUM (1.00) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL2586534 1.00 NOTUM (1.00) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL20462830 0.86 NOTUM (0.75) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL1865732 0.84 NOTUM (0.73) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL8057268 0.84 NOTUM (0.73) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL1825815 0.83 NOTUM (0.71) NOTUMSMN1; SMN2MEN1KMT2A
SCHEMBL17018045 0.83 NOTUM (0.71) NOTUMSMN1; SMN2MEN1KMT2A
SCHEMBL30366703 0.83 NOTUM (0.71) NOTUMSMN1; SMN2MEN1KMT2A
SCHEMBL21172540 0.83 NOTUM (0.71) NOTUMALDH1A1NPC1PKMSMN1; SMN2
SCHEMBL21172704 0.83 NOTUM (0.71) NOTUMALDH1A1NPC1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 US disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 US disclosed
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUND PROFESOR NOVOA SANTOS (ES) 2022-01-20 US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 WO disclosed
US-8692001-B2 Sulfonamides for the modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2014-04-08 US disclosed
US-8692001-B2 Sulfonamides for the modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2014-04-08 US disclosed
WO-2012056319-A1 SULFONAMIDES FOR THE MODULATION OF PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-05-03 WO disclosed
US-20120108631-A1 Sulfonamides for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-05-03 US disclosed
US-20120108631-A1 Sulfonamides for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-05-03 US disclosed
US-20100204282-A1 Reverse indoles as 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS, INC. 2010-08-12 US disclosed
WO-2008097930-A1 REVERSE INDOLES AS 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-08-14 WO disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 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 (8 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-20100204282-A1 Reverse indoles as 5-lipoxygenase-activating protein (FLAP) inhibitors ALOX5, LTC4S, LTA4H NOTUM 302/4885ALDH1A1 1773/4885NPC1 3445/4885
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE NOTUM 1324/4885ALDH1A1 514/4885NPC1 52/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR NOTUM 2116/4885ALDH1A1 374/4885NPC1 2977/4885
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 NOTUM 2496/4885ALDH1A1 1206/4885NPC1 2521/4885
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS CHUK, HIPK3, HIPK1 NOTUM 4317/4885ALDH1A1 967/4885NPC1 4325/4885
US-20120108631-A1 Sulfonamides for the Modulation of PKM2 PDK1, PDK4, PDK2 NOTUM 3880/4885ALDH1A1 2275/4885NPC1 4412/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE NOTUM 1324/4885ALDH1A1 514/4885NPC1 52/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C NOTUM 3091/4885ALDH1A1 1309/4885NPC1 4189/4885

“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.