SCHEMBL453886

SCHEMBL453886

c1ccc2c(c1)[N]C1CCCCC21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.53
NOS3 P29474 8/20 0.49
NOS2 P35228 8/20 0.49
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL19749952 0.81 NOS1 (0.50) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL3290310 0.70 MEN1 (0.56) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL6643315 0.69 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL2515680 0.68 NOS1 (0.38) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL7505121 0.67 NOS1 (0.52) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL6644831 0.65 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL6599478 0.65 SIGMAR1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL5899578 0.62 IDO1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL6642324 0.62 NOS1 (0.58) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL6647611 0.62 NOS1 (0.58) NOS1NOS3NOS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117656-B1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LTD (GB) 2002-05-29 EP claimed
US-6387512-B1 FOR COLORING INKS, FUELS, PLASTICS OR GLASS JAMES ROBINSON LIMITED (GB) 2002-05-14 US claimed
EP-3512602-B1 INHIBITORS OF HEAT SHOCK FACTORS (HSF) AND USES THEREOF HSF PHARMACEUTICALS (CH) 2024-03-27 EP disclosed
US-11926619-B2 Certain pladienolide compounds and methods of use EISAI R & D MANAGEMENT CO., LTD. (JP) 2024-03-12 US disclosed
WO-2024010870-A2 CRYSTALLINE MONOMERS FOR PREPARING ANTISENSE OLIGONUCLEOTIDES AND METHODS OF THEIR PREPARATION AND USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-01-11 WO disclosed
US-20230301990-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-09-28 US disclosed
US-11679107-B2 Certain aryl pladienolide compounds and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-06-20 US disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
EP-3957639-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF Einziger, Michael (US) 2022-02-23 EP disclosed
US-11220491-B2 Photoprotective compositions containing Malassezia-derived compounds and/or chemical analogs thereof VERSICOLOR TECHNOLOGIES, LLC (US) 2022-01-11 US disclosed
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBVIE INC. 2005-02-17 US disclosed
EP-1117656-B1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LTD (GB) 2002-05-29 EP disclosed
US-6387512-B1 FOR COLORING INKS, FUELS, PLASTICS OR GLASS JAMES ROBINSON LIMITED (GB) 2002-05-14 US disclosed
EP-1140892-A1 PHOTOCHROMIC SUBSTIITUTED 2H-NAPHTHO[1,2-B]PYRANS JAMES ROBINSON LIMITED (GB) 2001-10-10 EP disclosed
EP-1140892-A1 PHOTOCHROMIC SUBSTIITUTED 2H-NAPHTHO[1,2-B]PYRANS JAMES ROBINSON LIMITED (GB) 2001-10-10 EP disclosed
EP-1117656-A1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LIMITED (GB) 2001-07-25 EP disclosed
WO-2000035902-A1 PHOTOCHROMIC SUBSTITUTED 2H-NAPHTHO[1,2-b]PYRANS JAMES ROBINSON LIMITED (GB) 2000-06-22 WO disclosed
WO-2000035902-A1 PHOTOCHROMIC SUBSTITUTED 2H-NAPHTHO[1,2-b]PYRANS JAMES ROBINSON LIMITED (GB) 2000-06-22 WO disclosed
WO-2000018755-A1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LIMITED (GB) 2000-04-06 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 (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-11679107-B2 Certain aryl pladienolide compounds and methods of use PLAAT5, PLAAT3, SNRPE NOS1 4741/4885NOS3 4521/4885NOS2 4699/4885
US-20230301990-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 NOS1 4640/4885NOS3 4401/4885NOS2 4594/4885
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 NOS1 3588/4885NOS3 3139/4885NOS2 3410/4885
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity PRKAG1, PRKAG3, PRKAG2 NOS1 1877/4885NOS3 1291/4885NOS2 2305/4885
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD NOS1 2695/4885NOS3 2815/4885NOS2 2872/4885
US-11220491-B2 Photoprotective compositions containing Malassezia-derived compounds and/or chemical analogs thereof TYR, AHR, MC1R NOS1 2620/4885NOS3 1985/4885NOS2 1830/4885
US-11926619-B2 Certain pladienolide compounds and methods of use PLAAT5, PLAAT3, PLAAT4 NOS1 4621/4885NOS3 4329/4885NOS2 4579/4885

“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.