SCHEMBL29479644

SCHEMBL29479644

Cc1c(-c2ccc3oc(-c4ccnc(C(=O)O)c4)nc3c2)cnn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ HPSE Q9Y251 10/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ S1PR1 P21453 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ MAOA P21397 1/20 0.37

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
SCHEMBL23012526 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBGAAAPOBEC3A
SCHEMBL28707166 0.88 HPSE (0.39) ALDH1A1KDM4EPOLBGAAAPOBEC3A
SCHEMBL29479687 0.88 HPSE (0.39) ALDH1A1KDM4EPOLBGAAAPOBEC3A
SCHEMBL28711037 0.84 KDM4E (0.38) ALDH1A1KDM4EPOLBGAANPC1
SCHEMBL23033644 0.83 HDAC6 (0.40) ALDH1A1KDM4EPOLBHPSENPC1
SCHEMBL23033561 0.81 PIM1 (0.55) HPSE
SCHEMBL23033423 0.80 HDAC6 (0.38) ALDH1A1KDM4EPOLBHPSENPC1
SCHEMBL28714646 0.80 SMN1; SMN2 (0.42) ALDH1A1KDM4EPOLBGAAHPSE
SCHEMBL29479612 0.80 SMN1; SMN2 (0.42) ALDH1A1KDM4EPOLBGAAHPSE
SCHEMBL23033684 0.80 HPSE (0.42) ALDH1A1KDM4EPOLBGAAHPSE

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 3 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

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 ALDH1A1 1085/4885KDM4E 3910/4885POLB 1666/4885

“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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