SCHEMBL23091237

SCHEMBL23091237

COc1cc(-c2ccc(C(=O)Nc3cccnc3)s2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ HSD17B1 P14061 1/20 0.53
▸ HSD17B2 P37059 1/20 0.53
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL30501657 1.00 NPC1 (0.54) NPC1RAB9ATP53HSD17B1HSD17B2
SCHEMBL18573516 0.87 ESRRG (0.63) NPC1RAB9ATP53HSD17B1HSD17B2
SCHEMBL20764031 0.81 HDAC3 (0.54) NPC1RAB9ATP53LMNASMN1; SMN2
SCHEMBL23091265 0.81 HDAC3 (0.74) NPC1RAB9ATP53LMNAKDM4E
SCHEMBL30501748 0.81 HDAC3 (0.74) NPC1RAB9ATP53LMNAKDM4E
SCHEMBL20764070 0.79 SIRT2 (0.63) NPC1RAB9ATP53LMNAKDM4E
SCHEMBL20764075 0.78 SMN1; SMN2 (0.56) NPC1RAB9ATP53LMNAKDM4E
SCHEMBL23091169 0.78 NPC1 (0.64) NPC1RAB9ATP53LMNAKDM4E
SCHEMBL30501668 0.78 NPC1 (0.64) NPC1RAB9ATP53LMNAKDM4E
SCHEMBL20764073 0.78 NPC1 (0.72) NPC1RAB9ATP53LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 — — EP claimed
CN-112004807-B Compounds and pharmaceutical compositions comprising the same 自体吞噬科学有限公司 2023-07-18 — — CN claimed
US-11407744-B2 Compound and pharmaceutical composition comprising same Autophagysciences Inc. (KR) 2022-08-09 — — US claimed
EP-3805210-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2021-04-14 — — EP claimed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 — — US claimed
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 — — EP disclosed
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 — — EP disclosed
CN-112004807-B Compounds and pharmaceutical compositions comprising the same 自体吞噬科学有限公司 2023-07-18 — — CN disclosed
US-11407744-B2 Compound and pharmaceutical composition comprising same Autophagysciences Inc. (KR) 2022-08-09 — — US disclosed
EP-3805210-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2021-04-14 — — EP disclosed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 — — US disclosed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 — — US disclosed
CN-112004807-A Novel compounds and pharmaceutical compositions comprising said compounds 自体吞噬科学有限公司 2020-11-27 — — 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 (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-11407744-B2 Compound and pharmaceutical composition comprising same TFEB, ATG7, BECN1 NPC1 24/4885RAB9A 248/4885TP53 224/4885
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TFEB, ATG7, BECN1 NPC1 25/4885RAB9A 194/4885TP53 369/4885

“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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