SCHEMBL517815

SCHEMBL517815

N#Cc1ccc(CN[C]=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.61
CYP19A1 P11511 3/20 0.53
CYP2A6 P11509 1/20 0.48
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
KCNJ1 P48048 2/20 0.44
KCNH2 Q12809 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1983767 0.94 LOXL2 (0.55) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL6562364 0.80 KCNJ1 (0.50) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL2701960 0.79 LOXL2 (0.61) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL23879203 0.78 LOXL2 (0.71) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL15018259 0.77 ERCC1 (0.49) CYP19A1KCNJ1KCNH2KDM1AMAOA
SCHEMBL4633421 0.76 MEN1 (0.44) LOXL2CYP19A1KCNJ1KCNH2CA12
SCHEMBL25588079 0.76 LOXL2 (0.68) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL509578 0.76 LOXL2 (1.00) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL6231682 0.75 LOXL2 (0.55) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL5221613 0.74 ESR1 (0.44) CA1CA2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10919874-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2021-02-16 US disclosed
US-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2019-12-19 US disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-10370354-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2019-08-06 US disclosed
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2018-08-09 US disclosed
EP-3351541-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. (US) 2018-07-25 EP disclosed
US-9938255-B2 Metalloenzyme inhibitor compounds VPS-3, INC. (US) 2018-04-10 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
EP-2788343-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (NC) INC (US) 2018-02-28 EP disclosed
US-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 US disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 WO disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP 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 (7 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-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GAA, GPX1 LOXL2 2259/4885CYP19A1 817/4885CYP2A6 622/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 LOXL2 4157/4885CYP19A1 472/4885CYP2A6 1300/4885
US-10919874-B2 Metalloenzyme inhibitor compounds MMEL1, GAA, GPX1 LOXL2 2259/4885CYP19A1 817/4885CYP2A6 622/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 LOXL2 4157/4885CYP19A1 472/4885CYP2A6 1300/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 LOXL2 4157/4885CYP19A1 472/4885CYP2A6 1300/4885
US-10370354-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO LOXL2 2161/4885CYP19A1 898/4885CYP2A6 619/4885
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO LOXL2 2161/4885CYP19A1 898/4885CYP2A6 619/4885

“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.