SCHEMBL827121

SCHEMBL827121

CC(C)c1ccc2ccsc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SCN4A P35499 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAPT P10636 2/20 0.35
UGT2B7 P16662 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
EIF4A3 P38919 1/20 0.35

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
SCHEMBL827789 0.94 NPC1 (0.41) RAB9ANPC1SCN4ASMN1; SMN2LMNA
SCHEMBL29833612 0.84 UGT2B7 (0.50) RAB9ANPC1SCN4ASMN1; SMN2LMNA
SCHEMBL23269518 0.84 SLC6A2 (0.32) RAB9ANPC1SCN4ASMN1; SMN2CYP2A6
SCHEMBL3799813 0.83 CYP2A6 (0.46) RAB9ANPC1SCN4ASMN1; SMN2LMNA
SCHEMBL3798602 0.81 GAA (0.42) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL19954874 0.81 NPC1 (0.35) RAB9ANPC1SCN4ASMN1; SMN2PARP15
SCHEMBL19308855 0.78 NPC1 (0.34) RAB9ANPC1SCN4ASMN1; SMN2PARP15
SCHEMBL25572155 0.78 CHRNA7 (0.32) ALOX12
Butane SCHEMBL827112 0.77 CYP2A6 (0.44) RAB9ANPC1SCN4ASMN1; SMN2LMNA
SCHEMBL24421194 0.77 SMN1; SMN2 (0.32) RAB9ANPC1SCN4ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073420-A Preparation method of 2-phenylbenzothiophene derivative 陕西维世诺新材料有限公司 2022-09-20 CN claimed
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed
EP-4395497-A1 LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-07-03 EP disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-16 US disclosed
US-20230337524-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-19 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-20230322831-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
US-20230320190-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-05 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 US disclosed
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER INC. 2007-06-21 US disclosed
US-7186742-B2 Benzamide inhibitors of the P2X7 receptor PFIZER INC (US) 2007-03-06 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (9 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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 RAB9A 2592/4885NPC1 2597/4885SCN4A 4238/4885
US-20230322831-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND CRY1, LAGE3, LIG1 RAB9A 2362/4885NPC1 3069/4885SCN4A 3971/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD RAB9A 3214/4885NPC1 558/4885SCN4A 2152/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS RAB9A 1373/4885NPC1 876/4885SCN4A 3160/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 RAB9A 3309/4885NPC1 1952/4885SCN4A 4097/4885
US-20230337524-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, L1CAM, LEF1 RAB9A 2822/4885NPC1 4281/4885SCN4A 2128/4885
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, CHRM1, FOXM1 RAB9A 2071/4885NPC1 1898/4885SCN4A 3018/4885
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor IL1R1, P2RY1, P2RX1 RAB9A 2590/4885NPC1 1512/4885SCN4A 1730/4885
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARD, PPARG, PPARA RAB9A 3021/4885NPC1 309/4885SCN4A 2669/4885

“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.