SCHEMBL23213705

SCHEMBL23213705

O=C(O)Cn1nc(C(F)F)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.60
▸ GLA P06280 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALOX15 P16050 2/20 0.46
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ CMA1 P23946 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL29845235 1.00 HSD17B10 (0.60) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL30071406 0.87 LMNA (0.47) HSD17B10KDM4EHPGDALDH1A1LMNA
SCHEMBL23368488 0.84 HSD17B10 (0.58) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL24093933 0.84 HSD17B10 (0.58) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL23213586 0.83 KDM4E (0.62) HSD17B10KDM4EHPGDALDH1A1LMNA
SCHEMBL14631512 0.78 HSD17B10 (0.67) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL3905353 0.78 HSD17B10 (0.67) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL14487623 0.77 HSD17B10 (0.61) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL3354341 0.76 HSD17B10 (0.65) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL31481214 0.76 HSD17B10 (0.65) HSD17B10GLAKDM4EALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041729-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-27 — — EP disclosed
US-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-11-24 — — US disclosed
EP-4041729-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-17 — — EP disclosed
WO-2021070054-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-15 — — 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 (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-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H HSD17B10 3059/4885GLA 2816/4885KDM4E 2356/4885

“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.

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