SCHEMBL720130

SCHEMBL720130

Cc1cc2scnc2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DYRK1A Q13627 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 1/20 0.35
PTK6 Q13882 2/20 0.35
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
TGFBR1 P36897 4/20 0.33
PFKFB3 Q16875 2/20 0.32

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
SCHEMBL30089784 1.00 ALDH1A1 (0.38) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL4075601 0.92 ALDH1A1 (0.38) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL4048510 0.83 GAA (0.45) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL30093444 0.83 GAA (0.45) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL2999828 0.80 TERT (0.45) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL12121770 0.76 TGFBR1 (0.44) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL22366924 0.76 NPC1 (0.38) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL22304452 0.76 DYRK1A (0.42) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL5541837 0.76 NPC1 (0.41) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL4052274 0.76 RIPK2 (0.39) ALDH1A1HSD17B10NPC1RAB9AKDM4E

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3977882-A CARBOCYANINE DYES FUJI PHOTO FILM CO., LTD. (JA) 1976-08-31 US claimed
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
CN-115768771-A Arylsulfonyl derivatives and their use as muscarinic acetylcholine receptor M5 inhibitors 范德堡大学 2023-03-07 CN disclosed
US-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF ASTEX THERAPEUTICS LIMITED (GB) 2023-01-26 US disclosed
CN-115551500-A 4-aminobut-2-enamide derivatives and salts thereof 大鹏药品工业株式会社 2022-12-30 CN disclosed
EP-4051266-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2022-09-07 EP disclosed
CN-114591311-A Compounds that modulate intracellular calcium 钙医学公司 2022-06-07 CN disclosed
WO-2021085653-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-05-06 WO disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 US disclosed
US-3977882-A CARBOCYANINE DYES FUJI PHOTO FILM CO., LTD. (JA) 1976-08-31 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 (5 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-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF KRAS, NRAS, HRAS ALDH1A1 2807/4885HSD17B10 4462/4885NPC1 3847/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885HSD17B10 3352/4885NPC1 262/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 ALDH1A1 557/4885HSD17B10 4502/4885NPC1 2791/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885HSD17B10 3352/4885NPC1 262/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ALDH1A1 4409/4885HSD17B10 3352/4885NPC1 262/4885

“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.