SCHEMBL21995029

SCHEMBL21995029

O=CNc1ccccc1CCc1ccccc1NC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.44
PABPC1 P11940 1/20 0.40
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
ABCB1 P08183 3/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM5A P29375 2/20 0.32
EPHX1 P07099 1/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 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
SCHEMBL26456221 0.89 TAAR1 (0.46) TSHRALDH1A1MAPTGAA
SCHEMBL5219876 0.88 TSHR (0.41) TSHRALDH1A1PABPC1CA12CA2
SCHEMBL12569376 0.88 TAAR1 (0.45) TSHRALDH1A1PABPC1CYP2D6MPO
SCHEMBL7533909 0.88 ADRA2B (0.41) TSHRALDH1A1PABPC1MAPTGAA
SCHEMBL12571394 0.88 TAAR1 (0.45) TSHRALDH1A1PABPC1CYP2D6MPO
SCHEMBL8763037 0.86 TSHR (0.46) TSHRALDH1A1PABPC1ADH1BADH1C
SCHEMBL14390806 0.85 CYP3A4 (0.44) TSHRALDH1A1CYP2D6
SCHEMBL27623678 0.85 TSHR (0.39) TSHRALDH1A1PABPC1HIF1A
SCHEMBL33525287 0.84 ALDH1A1 (0.46) TSHRALDH1A1MAPTNPSR1GAA
SCHEMBL11286222 0.84 TSHR (0.44) TSHRALDH1A1PABPC1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4342473-A2 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-03-27 EP disclosed
US-20240051972-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-02-15 US disclosed
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
US-11492361-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-08 US disclosed
US-20220119417-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-21 US disclosed
EP-3886987-A1 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-10-06 EP disclosed
US-20210009609-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-14 US disclosed
US-10870663-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-22 US disclosed
US-20200299309-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-24 US disclosed
WO-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 WO 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 (7 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-20220119417-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 TSHR 4870/4885ALDH1A1 424/4885PABPC1 2875/4885
US-20240051972-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 TSHR 4870/4885ALDH1A1 424/4885PABPC1 2875/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 TSHR 4870/4885ALDH1A1 424/4885PABPC1 2875/4885
US-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 TSHR 4875/4885ALDH1A1 962/4885PABPC1 4249/4885
US-11492361-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 TSHR 4878/4885ALDH1A1 474/4885PABPC1 3064/4885
US-20200299309-A1 Compounds Useful in HIV Therapy CCR5, SLC11A2, CD4 TSHR 4875/4885ALDH1A1 962/4885PABPC1 4249/4885
US-20210009609-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 TSHR 4878/4885ALDH1A1 474/4885PABPC1 3064/4885

“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.