SCHEMBL30297428

SCHEMBL30297428

CCOC(=O)c1cc(-c2nc3ccc(NC(=O)[C@@H]4CC4(F)F)cc3o2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CEPT1 Q9Y6K0 1/20 0.39
▸ HSD17B10 Q99714 6/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ TP53 P04637 3/20 0.38

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
SCHEMBL23034158 1.00 NPC1 (0.43) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL23034199 0.87 NPC1 (0.44) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL28936208 0.86 NPC1 (0.44) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29479820 0.84 MAPT (0.50) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL23033392 0.84 MAPT (0.50) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL23033694 0.79 ALDH1A1 (0.48) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL28710788 0.77 NPC1 (0.36) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL23033343 0.76 RAB9A (0.50) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29479768 0.76 SMN1; SMN2 (0.49) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29479680 0.76 RAB9A (0.50) NPC1RAB9AMEN1KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-16 — — US 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 NPC1 1194/4885RAB9A 385/4885MEN1 878/4885

“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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