SCHEMBL543864

SCHEMBL543864

Cc1cc(N=C=O)ccc1-c1ccc(N=C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TRPA1 O75762 1/20 0.55
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.42
HSD17B1 P14061 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.33
SENP2 Q9HC62 2/20 0.31
SENP1 Q9P0U3 2/20 0.31
SUMO2 P61956 1/20 0.31
SUMO1 P63165 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
RARB P10826 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
SENP3 Q9H4L4 1/20 0.30

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
SCHEMBL29808709 0.98 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8596339 0.98 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8973448 0.89 CYP3A4 (0.51) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL667517 0.88 CYP3A4 (0.62) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8589469 0.86 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL432632 0.85 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL2157655 0.85 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8596343 0.81 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL7588494 0.81 CA12 (0.47) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL18126138 0.80 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414418-A1 COMPOSITION CONTAINING A SURFACE-DEACTIVATED POLYISOCYANATE AND CURING IN TWO STAGES Sika Technology AG (CH) 2012-02-08 EP claimed
WO-2010112537-A1 COMPOSITION CONTAINING A SURFACE-DEACTIVATED POLYISOCYANATE AND CURING IN TWO STAGES SIKA TECHNOLOGY AG (CH) 2010-10-07 WO claimed
JP-5250918-A None JP disclosed
US-12261265-B2 Method for producing lithium fluorosulfonate, lithium fluorosulfonate, nonaqueous electrolytic solution, and nonaqueous electrolytic solution secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2025-03-25 US disclosed
EP-3709426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ENERGY DEVICE USING SAME MITSUBISHI CHEM CORP (JP) 2025-02-26 EP disclosed
US-20240154170-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2024-05-09 US disclosed
EP-3584872-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND POWER STORAGE DEVICE MITSUBISHI CHEM CORP (JP) 2023-10-25 EP disclosed
US-20230257500-A1 RADICALLY POLYMERIZABLE COMPOSITIONS BNY MELLON CORPORATE TRUSTEE SERVICES LIMITED, AS SECURITY AGENT (GB) 2023-08-17 US disclosed
EP-4219400-A2 METHOD FOR PRODUCING LITHIUM FLUOROSULFONATE, LITHIUM FLUOROSULFONATE, USE OF LITHIUM FLUOROSULFONATE IN A NONAQUEOUS ELECTROLYTIC SOLUTION, AND NONAQUEOUS ELECTROLYTIC SOLUTION Mitsubishi Chemical Corporation (JP) 2023-08-02 EP disclosed
US-11631895-B2 Nonaqueous electrolyte solution and energy device using same MITSUBISHI CHEMICAL CORPORATION (JP) 2023-04-18 US disclosed
EP-3782958-B1 NONAQUEOUS ELECTROLYTIC SOLUTION SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2023-03-01 EP disclosed
EP-0277376-B1 AROMATIC AMIDE GROUPS-CONTAINING DIAMINES AND POLYMERS IN WHICH THESE DIAMINES ARE INCORPORATED AKZO N.V. (NL) 1991-02-27 EP disclosed
US-4980444-A Polyamides, polyureas, polyimides; heat resistance, melt processability, high strength fibers, films AKZO N.V. (NL) 1990-12-25 US disclosed
EP-0328808-A2 Polyurethane adhesive for a surface treatment-free fiber reinforced plastic GENCORP INC. (US) 1989-08-23 EP disclosed
US-4851562-A HEAT RESISTANCE, MELT PROCESS ABILITY AKZO N.V. (NL) 1989-07-25 US disclosed
US-4806414-A THERMOPLASTIC POLYMERS WITH POLYESTER-ESTER URETHANE ADHESIVES AKZO NV (NL) 1989-02-21 US disclosed
EP-0102115-B1 POLYESTER-ESTER URETHANE AKZO N.V. (NL) 1987-06-10 EP disclosed
EP-0213681-A1 Composite material AKZO N.V. (NL) 1987-03-11 EP disclosed
EP-0159053-A1 Polyester-ester urethane AKZO N.V. (NL) 1985-10-23 EP disclosed
US-4483970-A BLOCK POLYMERS, MOLDING MATERIALS AKZO N.V. (NL) 1984-11-20 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 (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-11631895-B2 Nonaqueous electrolyte solution and energy device using same SLC26A3, VDAC3, SLC25A13 CYP3A4 4041/4885TRPA1 967/4885TDP1 3532/4885

“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.