SCHEMBL23012967

SCHEMBL23012967

COC(=O)c1cc(-c2nc3cc(NC(=O)[C@@H]4C[C@@H]4F)ccc3o2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ KDM4E B2RXH2 9/20 0.47
▸ ALDH1A1 P00352 8/20 0.47
▸ HPGD P15428 5/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ PPARG P37231 2/20 0.47
▸ NCOA2 Q15596 2/20 0.47
▸ NCOA1 Q15788 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ NCOA3 Q9Y6Q9 2/20 0.47
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TP53 P04637 2/20 0.45

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
SCHEMBL29479590 1.00 MAPT (0.51) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23012765 1.00 MAPT (0.51) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30850818 0.89 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23012294 0.89 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29479820 0.86 MAPT (0.50) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23033392 0.86 MAPT (0.50) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29479722 0.86 NPC1 (0.54) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28707250 0.86 NPC1 (0.54) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28713327 0.85 KDM4E (0.61) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30297422 0.85 KDM4E (0.61) MAPTKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-03-21 — — US disclosed
US-20240043416-A1 SALT AND CRYSTAL FORM OF HA INHIBITOR COMPOUND SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-08 — — US disclosed
EP-4289826-A1 SALT AND CRYSTAL FORM OF HA INHIBITOR COMPOUND Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-12-13 — — EP disclosed
EP-4282860-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-29 — — EP disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — 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 (2 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-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM ZC3HAV1, ZC3HAV1L, FMNL1 MAPT 1387/4885KDM4E 182/4885ALDH1A1 1568/4885
US-20240043416-A1 SALT AND CRYSTAL FORM OF HA INHIBITOR COMPOUND MMP11, MMP1, MMP2 MAPT 2436/4885KDM4E 2318/4885ALDH1A1 843/4885

“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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