SCHEMBL1723946

SCHEMBL1723946

CC1=Nc2ccccc2C1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.46
NOS3 P29474 4/20 0.46
NOS2 P35228 4/20 0.46
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RARA P10276 1/20 0.33
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL4 Q96JB6 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
Bromide SCHEMBL27689237 0.98 NOS1 (0.44) NOS1NOS3NOS2GAAKDM4E
Iodide SCHEMBL27932536 0.98 NOS1 (0.44) NOS1NOS3NOS2GAAKDM4E
Benzene SCHEMBL13858758 0.86 NOS3 (0.37) NOS1NOS3NOS2GAAKDM4E
SCHEMBL20991139 0.80 NOS1 (0.44) NOS1NOS3NOS2GAAKDM4E
SCHEMBL18057140 0.76 NOS1 (0.40) NOS1NOS3NOS2GAAKDM4E
SCHEMBL28844368 0.76 NOS1 (0.40) NOS1NOS3NOS2GAAKDM4E
SCHEMBL7642293 0.76 NOS1 (0.44) NOS1NOS3NOS2GAARARA
SCHEMBL21555508 0.76 NOS1 (0.53) NOS1NOS3NOS2GAAKDM4E
SCHEMBL15628864 0.74 NOS3 (0.45) NOS1NOS3NOS2GAAHTT
SCHEMBL22813662 0.72 NOS1 (0.44) NOS1NOS3NOS2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109913204-A A kind of active near infrared fluorescent probe of detection marker of inflammation and its synthetic method 山东师范大学 2019-06-21 CN claimed
CN-108752319-A Monoamine oxidase A inhibitor indoles cyanines coupling compound and its preparation method and application 沈阳药科大学 2018-11-06 CN claimed
US-3953216-A BENZOXAZOLES, NAPHTHOXAZOLES FUJI PHOTO FILM CO., LTD. (JA) 1976-04-27 US claimed
JP-1027995-A None JP disclosed
US-20230248832-A1 Small Molecule Ligand-Drug Conjugates for Targeted Cancer Therapy UNIV EMORY (US) 2023-08-10 US disclosed
US-20230248832-A1 Small Molecule Ligand-Drug Conjugates for Targeted Cancer Therapy UNIV EMORY (US) 2023-08-10 US disclosed
WO-2020054718-A1 NEAR-INFRARED-ABSORBENT COMPOSITION, METHOD FOR MANUFACTURING LIQUID DISPERSION, FILM, OPTICAL FILTER, PATTERN FORMATION METHOD, LAYERED BODY, SOLID-STATE IMAGING ELEMENT, IMAGE DISPLAY DEVICE, AND INFRARED SENSOR 富士フイルム株式会社 2020-03-19 WO disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20160310604-A1 SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY CEDARS-SINAI MEDICAL CENTER 2016-10-27 US disclosed
US-20160310604-A1 SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY CEDARS-SINAI MEDICAL CENTER 2016-10-27 US disclosed
US-9110069-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2015-08-18 US disclosed
CN-1705913-A Negative cyan violet laser photosensitive composition, image forming material, image forming element and image forming method MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
EP-1525265-A4 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2005-06-22 EP disclosed
EP-1525265-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE-MELLON UNIVERSITY (US) 2005-04-27 EP disclosed
CN-1599884-A Photosensitive resin composition and photosensitive films and laminates made by using the same KANEGAFUCHI CHEMICAL IND (JP) 2005-03-23 CN disclosed
CN-1501921-A Diamine, acid dianhydride, polyimide composition having reactive group and comprising the same, and method for producing the same 钟渊化学工业株式会社 2004-06-02 CN disclosed
WO-2004039894-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2004-05-13 WO disclosed
US-5070248-A Green phosphor and uv phosphor MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-12-03 US disclosed
JP-S6427995-A OPTICAL INFORMATION RECORDING MEDIUM RICOH KK 1989-01-30 JP disclosed
US-4028129-A CONTAINING AN INORGANIC PEROXIDE OR A PEROXODISULFATE TO INHIBIT FOGGING FUJI PHOTO FILM CO., LTD. (JA) 1977-06-07 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 (3 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-20160310604-A1 SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY SELL, EPCAM, SELPLG NOS1 3733/4885NOS3 3740/4885NOS2 3327/4885
US-20230248832-A1 Small Molecule Ligand-Drug Conjugates for Targeted Cancer Therapy SELL, EPCAM, SELPLG NOS1 3733/4885NOS3 3740/4885NOS2 3327/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NOS1 1788/4885NOS3 1999/4885NOS2 1759/4885

“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.