SCHEMBL17797154

SCHEMBL17797154

Nc1c(Br)cc(F)c(Br)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 7/20 0.48
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
CA3 P07451 2/20 0.41
KDM1A O60341 4/20 0.35
KDM1B Q8NB78 2/20 0.35
KCNH2 Q12809 2/20 0.33
ADRB2 P07550 2/20 0.33
AKR1B1 P15121 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 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
SCHEMBL30521239 1.00 CA1 (0.48) CA1CA2CA9MAPTGAA
SCHEMBL3828527 0.82 CA1 (0.38) CA1CA2CA9MAPTGAA
SCHEMBL29502108 0.77 CA1 (0.42) CA1CA2CA9MAPTGAA
SCHEMBL19475196 0.77 CA1 (0.42) CA1CA2CA9MAPTGAA
SCHEMBL30442713 0.75 ALDH1A1 (0.40) CA1CA2CA9MAPTKDM1A
SCHEMBL1638670 0.74 GAA (0.43) CA1CA2CA9MAPTGAA
SCHEMBL28192070 0.74 CA1 (0.36) CA1CA2CA9MAPTGAA
SCHEMBL29656724 0.74 GAA (0.43) CA1CA2CA9MAPTGAA
SCHEMBL51159 0.73 CA1 (0.39) CA1CA2CA9MAPTGAA
SCHEMBL14247206 0.73 CA1 (0.39) CA1CA2CA9MAPTGAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510421-B Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-04-05 CN claimed
CN-117510421-A Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-02-06 CN claimed
CN-112500557-B Asymmetric donor-acceptor-donor electrochromic polymer based on 5-fluoro-2, 1, 3-benzothiadiazole and application thereof 电子科技大学中山学院 2023-08-04 CN claimed
CN-117510421-B Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-04-05 CN disclosed
CN-117510421-A Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-02-06 CN disclosed
CN-112500557-B Asymmetric donor-acceptor-donor electrochromic polymer based on 5-fluoro-2, 1, 3-benzothiadiazole and application thereof 电子科技大学中山学院 2023-08-04 CN disclosed
CN-111675802-B Wide-band-gap conjugated polymer based on monofluoroquinoxaline-furan as electricity-deficient unit and application 西安近代化学研究所 2022-12-13 CN disclosed
CN-112500557-A Asymmetric donor-acceptor-donor electrochromic polymer based on 5-fluoro-2, 1, 3-benzothiadiazole and application thereof 电子科技大学中山学院 2021-03-16 CN disclosed
CN-111892696-A Dithienobenzene fused ring quinoxaline conjugated polymer and preparation method and application thereof 华南理工大学 2020-11-06 CN disclosed
CN-111675802-A Wide-band-gap conjugated polymer based on monofluoroquinoxaline-furan as electricity-deficient unit and application 西安近代化学研究所 2020-09-18 CN disclosed
US-9543529-B2 Compounds containing electron rich and electron deficient regions and their use in organic electronic applications SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-01-10 US disclosed
US-20160211463-A1 COMPOUNDS CONTAINING ELECTRON RICH AND ELECTRON DEFICIENT REGIONS AND THEIR USE IN ORGANIC ELECTRONIC APPLICATIONS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-07-21 US disclosed
EP-3028317-A1 COMPOUNDS CONTAINING ELECTRON RICH AND ELECTRON DEFICIENT REGIONS AND THEIR USE IN ORGANIC ELECTRONIC APPLICATIONS SABIC Global Technologies B.V. (NL) 2016-06-08 EP disclosed
CN-102816300-B The conjugated polymers of fluoroquinoxaline and furans XI'AN INST. OF MODERN CHEMISTRY (CN) 2015-08-12 CN disclosed
CN-102816299-B Conjugated polymer of 4, 8-diisooctyl alkoxy phenyl [1, 2-b; 3, 4-b] bithiophene and fluoro-quinoxaline XI'AN INST. OF MODERN CHEMISTRY (CN) 2014-10-15 CN disclosed
CN-102850529-B Conjugated polymer of 4,8-di(5-isooctylthiophene)phenyl[1,2-b;3,4-b]bisthiophene and fluoroquinoxaline XIAN MODERN CHEMISTRY RES INST 2014-05-28 CN 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-20160211463-A1 COMPOUNDS CONTAINING ELECTRON RICH AND ELECTRON DEFICIENT REGIONS AND THEIR USE IN ORGANIC ELECTRONIC APPLICATIONS SELE, SOD1, SLC43A1 CA1 4424/4885CA2 4590/4885CA9 3858/4885

“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.