SCHEMBL7795676

SCHEMBL7795676

Cc1cnc2c([N+](=O)[O-])cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.60
KDM4E B2RXH2 3/20 0.56
PSMD14 O00487 1/20 0.56
COPS5 Q92905 1/20 0.56
CCR1 P32246 2/20 0.53
CCR5 P51681 2/20 0.53
CCR8 P51685 2/20 0.53
PARP1 P09874 1/20 0.53
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 3/20 0.45
CYP1A2 P05177 2/20 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
SCHEMBL26964187 0.81 KDM4E (0.58) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL30553418 0.81 KDM4E (0.58) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL29253980 0.80 PDE10A (0.60) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL27535082 0.80 PDE10A (0.60) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL6431603 0.80 PDE10A (0.60) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL3713823 0.80 PDE10A (0.60) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL2195087 0.80 PDE10A (0.60) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL8488388 0.80 HSP90AA1 (0.65) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL29801038 0.80 PDE10A (0.60) PDE10AKDM4EHSP90AA1HSP90AB1TDP1
SCHEMBL10319610 0.80 PDE10A (0.55) PDE10AHSP90AA1HSP90AB1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
US-20240148744-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES ZOETIS LLC 2024-05-09 US disclosed
EP-4291555-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-12-20 EP disclosed
CN-116806218-A Sulfonamide and its use for the treatment of parasitic helminth infections and diseases 新基公司 2023-09-26 CN disclosed
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. 2022-10-06 US disclosed
WO-2022173727-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-08-18 WO disclosed
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-03-23 US disclosed
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-03-23 US disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US disclosed
US-20170260158-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR AbbVie Deutschland GmbH & Co. KG (DE) 2017-09-14 US disclosed
US-20010053783-A1 Central nervous system disorders FAIRHURST JOHN (GB) 2001-12-20 US disclosed
EP-0854146-B1 Substituted 4-(6-fluoro-[1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine for the treatment of CNS-disorders LILLY CO ELI (GB) 2000-03-15 EP disclosed
CN-1243515-A Substituted 4-(6-Fluoro-(1H)-indol-3-YL)-1,2,3,6-Tetra-Hydropyridine for treatment of CNS-disorders LILLY CO ELI (GB) 2000-02-02 CN disclosed
WO-1998031686-A1 SUBSTITUTED 4-(6-FLUORO-(1H)-INDOL-3-YL)-1,2,3,6-TETRAHYDROPYRIDINE FOR THE TREATMENT OF CNS-DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-07-23 WO disclosed
EP-0854146-A1 Substituted 4-(6-fluoro-[1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine for the treatment of CNS-disorders ELI LILLY AND COMPANY LIMITED (GB) 1998-07-22 EP disclosed
US-5625068-A Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
EP-0747361-A1 Substituted quinoline herbicide intermediates and process American Cyanamid Company (US) 1996-12-11 EP disclosed
EP-0132714-B1 PROCESS FOR THE PREPARATION OF QUINOLINES BASF Aktiengesellschaft (DE) 1987-01-28 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-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 PDE10A 3989/4885KDM4E 3526/4885PSMD14 1006/4885
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 PDE10A 3989/4885KDM4E 3526/4885PSMD14 1006/4885
US-20170260158-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR1A PDE10A 682/4885KDM4E 3801/4885PSMD14 4067/4885
US-20240148744-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES ARSA, MRPS2, SULT2A1 PDE10A 3320/4885KDM4E 4149/4885PSMD14 2730/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 PDE10A 3989/4885KDM4E 3526/4885PSMD14 1006/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 PDE10A 3989/4885KDM4E 3526/4885PSMD14 1006/4885
US-20010053783-A1 Central nervous system disorders CNR1, PMP22, CNR2 PDE10A 2164/4885KDM4E 4138/4885PSMD14 3990/4885

“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.