SCHEMBL3335239

SCHEMBL3335239

CN(C)c1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.50
NR4A2 P43354 2/20 0.50
CYP2A6 P11509 2/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 3/20 0.49
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 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
SCHEMBL7260233 0.85 NPC1 (0.62) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL31084784 0.83 AHR (0.50) AHRCYP2A6ALOX15TERTAPP
SCHEMBL827584 0.83 AHR (0.50) AHRCYP2A6ALOX15TERTAPP
SCHEMBL13967147 0.81 SLC6A2 (0.44) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL9967028 0.79 USP2 (0.55) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL3836298 0.79 AHR (0.50) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL9717426 0.78 SLC6A2 (0.46) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL7482735 0.78 PER2 (0.46) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL4344348 0.76 SLC6A2 (0.44) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL3612090 0.75 SLC6A2 (0.46) CYP2A6USP2GAAALOX15RAD51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052861-B Compound, composition, cured product, and method for producing cured product 株式会社艾迪科 2024-11-29 CN disclosed
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
CN-115052861-A Compound, composition, cured product, and method for producing cured product 株式会社艾迪科 2022-09-13 CN disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 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-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 WO disclosed
EP-0487322-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1996-07-31 EP disclosed
EP-0339887-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1996-07-10 EP disclosed
EP-0368508-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1994-09-14 EP disclosed
US-5187283-A Reacting indole(or derivatives) with organic hydroperoxide in presence of group 4,5 or 6 metals and removing water during reaction MITSUI TOATSU CHEMICALS, INC. (JP) 1993-02-16 US disclosed
EP-0487322-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-27 EP disclosed
US-5112987-A Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1992-05-12 US disclosed
US-4973706-A OXIDATION OF INDOLE WITH HYDROPEROXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-27 US disclosed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 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 (1 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-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 AHR 4159/4885NR4A2 3092/4885CYP2A6 3817/4885

“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.