SCHEMBL23012876

SCHEMBL23012876

COC(=O)c1cc(-c2nc3cc(-c4cnnn4C)ccc3o2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HDAC6 Q9UBN7 5/20 0.40
▸ PTPN2 P17706 3/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ PTPN5 P54829 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HSPD1 P10809 2/20 0.40
▸ HSPE1 P61604 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL29479616 1.00 MAPT (0.45) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL23033423 0.89 HDAC6 (0.38) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL29479662 0.81 NPC1 (0.40) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL23012361 0.81 NPC1 (0.40) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL28698097 0.81 NPC1 (0.36) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL23012095 0.80 MAPT (0.45) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL29479774 0.80 MAPT (0.45) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL23012350 0.80 MAPT (0.47) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL23012299 0.78 RAB9A (0.69) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL29479691 0.78 HDAC6 (0.54) MAPTRAB9ASMN1; SMN2TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
US-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-16 — — US 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
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 (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-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF IDE, ACE, SI MAPT 2824/4885RAB9A 385/4885SMN1; SMN2 4304/4885

“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.

Send feedback