SCHEMBL2095558

SCHEMBL2095558

COc1ccc(-c2cs[c]n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PDE4A P27815 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL17626136 0.86 ALDH1A1 (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17626199 0.86 KMO (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3953899 0.82 MEN1 (0.38) PKMMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27750981 0.78 ALDH1A1 (0.42) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL679068 0.77 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29042383 0.75 CYP19A1 (0.43) MAPT
SCHEMBL500272 0.75 CYP19A1 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2750142 0.74 KMT2A (0.48) MAPTNPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL17626046 0.74 KMT2A (0.48) MAPTRAB9AALDH1A1KMT2AATM
SCHEMBL17626158 0.74 ALDH1A1 (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763939-B2 Compositions and methods for treating mitochondrial diseases BIOVISTA, INC. (US) 2017-09-19 US claimed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 US disclosed
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 US disclosed
EP-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 EP disclosed
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 CN disclosed
EP-2375900-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING TETRACYCLIC PYRAZINOINDOLES Biovista, Inc. (US) 2011-10-19 EP disclosed
WO-2010068867-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING TETRACYCLIC PYRAZINOINDOLES BIOVISTA, INC. (US) 2010-06-17 WO disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 PKM 1263/4885MAPT 3912/4885NPC1 4195/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 PKM 1452/4885MAPT 4783/4885NPC1 2489/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 PKM 1440/4885MAPT 4782/4885NPC1 2768/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 PKM 3041/4885MAPT 4299/4885NPC1 3130/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 PKM 1452/4885MAPT 4783/4885NPC1 2489/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 PKM 381/4885MAPT 3435/4885NPC1 4528/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 PKM 1440/4885MAPT 4782/4885NPC1 2768/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 PKM 1452/4885MAPT 4783/4885NPC1 2489/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 PKM 1440/4885MAPT 4782/4885NPC1 2768/4885

“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.