SCHEMBL6607796

SCHEMBL6607796

COc1ncc(CO)cc1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FYN P06241 3/20 0.34
APP P05067 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
TTR P02766 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL30912267 1.00 NPC1 (0.38) NPC1POLBRAB9APIK3R1PIK3CA
SCHEMBL30912270 1.00 NPC1 (0.38) NPC1POLBRAB9APIK3R1PIK3CA
SCHEMBL19446102 0.85 TRPA1 (0.41) MAPTCYP1A2CYP3A4TSHRNFKB1
SCHEMBL19330511 0.81 NPC1 (0.48) NPC1POLBRAB9APIK3R1PIK3CA
SCHEMBL1922199 0.79 HSD17B10 (0.45) NPC1POLBRAB9APIK3R1PIK3CA
SCHEMBL4140194 0.79 PIK3CA (0.49) NPC1POLBRAB9APIK3R1PIK3CA
SCHEMBL366394 0.79 NPC1 (0.43) NPC1POLBRAB9APIK3R1PIK3CA
SCHEMBL27885514 0.79 GAA (0.53) POLBCYP11B1CYP11B2HSD17B10MAPT
SCHEMBL28650050 0.77 RORC (0.37) NPC1POLBRAB9APIK3R1PIK3CA
SCHEMBL6899257 0.76 CYP3A4 (0.31) CYP1A2CYP3A4TSHRNFKB1ALOX15

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-118026999-A Indazole hydrazide compound and application thereof in preparation of medicines for treating cancers 北京大学第一医院 2024-05-14 CN disclosed
US-20220339302-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2022-10-27 US disclosed
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP 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-20220339302-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 NPC1 288/4885POLB 3975/4885RAB9A 1224/4885

“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.