SCHEMBL1963497

SCHEMBL1963497

CCCCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HRH3 Q9Y5N1 1/20 0.60
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KCNH2 Q12809 3/20 0.58
MGLL Q99685 1/20 0.57
NR5A1 Q13285 1/20 0.56
PTGS2 P35354 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL9308071 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL9232088 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL5052431 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL3332201 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL51004 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL8410318 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL5387345 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL5049067 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL1240044 0.98 MAPT (0.63) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL25232552 0.95 MAPT (0.65) MAPTL3MBTL1NPC1RAB9AHRH3

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
WO-1998010852-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1998-03-19 WO claimed
US-20250034139-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2025-01-30 US disclosed
US-12139483-B2 Imidazoquinolyl compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity PHARMA CINQ, LLC (US) 2024-11-12 US disclosed
CN-111562729-B Light-responsive low-molecular material, adhesive, toner, and image forming method 柯尼卡美能达株式会社 2024-04-05 CN disclosed
CN-111580360-B Toner for developing electrostatic image and image forming method 柯尼卡美能达株式会社 2023-09-22 CN disclosed
US-11702398-B2 Photoresponsive low-molecular weight material, adhesive, toner, and image forming method Konica Minolta, Inc. (JP) 2023-07-18 US disclosed
US-20210163476-A1 IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2021-06-03 US disclosed
US-10934284-B2 Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity WELLSTAT THERAPEUTICS CORPORATION (US) 2021-03-02 US disclosed
CN-108250142-B Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity 维尔斯达医疗公司 2021-01-26 CN disclosed
CN-111580360-A Toner for developing electrostatic image and image forming method 柯尼卡美能达株式会社 2020-08-25 CN disclosed
EP-0907647-A1 CROWN CALIX 4]ARENES, METHOD OF PREPARATION AND USE FOR SELECTIVE EXTRACTION OF CAESIUM COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1999-04-14 EP disclosed
US-5866087-A FROM AQUEOUS SOLUTIONS OF WASTE FUELS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1999-02-02 US disclosed
WO-1998039321-A1 CROWN CALIX[4]ARENES, METHOD OF PREPARATION AND USE FOR SELECTIVE EXTRACTION OF CAESIUM COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1998-09-11 WO disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
EP-0695304-A1 CALIX 4 ARENE CROWN ETHERS, METHOD FOR PREPARING SAME, AND USE THEREOF FOR THE SELECTIVE EXTRACTION OF CAESIUM AND ACTINIDES COMMISSARIAT ENERGIE ATOMIQUE (FR) 1996-02-07 EP disclosed
EP-0670840-A1 BIS-CROWN CALIX 4]ARENES, METHOD FOR PREPARING SAME AND USE THEREOF FOR SELECTIVELY RECOVERING CESIUM AND ACTINIDES. COMMISSARIAT ENERGIE ATOMIQUE (FR) 1995-09-13 EP disclosed
WO-1994024138-A1 CALIX|4|ARENE CROWN ETHERS, METHOD FOR PREPARING SAME, AND USE THEREOF FOR THE SELECTIVE EXTRACTION OF CAESIUM AND ACTINIDES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1994-10-27 WO disclosed
WO-1994012502-A1 BIS-CROWN CALIX[4]ARENES, METHOD FOR PREPARING SAME AND USE THEREOF FOR SELECTIVELY RECOVERING CESIUM AND ACTINIDES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1994-06-09 WO disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 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 (5 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-20210163476-A1 IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY NOD1, NLRP3, AADAC MAPT 2848/4885L3MBTL1 1523/4885NPC1 2710/4885
US-11702398-B2 Photoresponsive low-molecular weight material, adhesive, toner, and image forming method ICAM1, CDH1, ACTR5 MAPT 209/4885L3MBTL1 3156/4885NPC1 4771/4885
US-20250034139-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY AADAC, CASP1, AAAS MAPT 1131/4885L3MBTL1 1868/4885NPC1 1958/4885
US-12139483-B2 Imidazoquinolyl compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity NOD1, NLRP3, AADAC MAPT 2848/4885L3MBTL1 1523/4885NPC1 2710/4885
US-10934284-B2 Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity AAAS, AADAC, NFKBIA MAPT 2661/4885L3MBTL1 2833/4885NPC1 3086/4885

“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.