SCHEMBL2096790

SCHEMBL2096790

Clc1ccc(-c2co[c]n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.38
METAP2 P50579 1/20 0.38
LTA4H P09960 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.34
GCGR P47871 1/20 0.34
LMNA P02545 2/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2089433 0.79 NPC1 (0.39) NOTUMRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL2092720 0.79 ENPP3 (0.46) NOTUMMETAP2RAB9ANPC1SMN1; SMN2
SCHEMBL2751647 0.79 KMO (0.33)
SCHEMBL2096696 0.79 AHR (0.46) NOTUMRAB9ANPC1LMNA
SCHEMBL102449 0.78 RAB9A (0.41) NOTUMMETAP2RAB9ANPC1SMN1; SMN2
SCHEMBL2098115 0.75 KIF11 (0.44) NOTUMLTA4HRAB9ANPC1KDM4E
SCHEMBL2752347 0.73 HSP90AA1 (0.47) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL2753481 0.73 IDO1 (0.45) RAB9ASMN1; SMN2MAPT
SCHEMBL7387155 0.71 ALDH1A1 (0.35) MAPTCYP1A2
SCHEMBL9488955 0.71 NPC1 (0.40) NOTUMRAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-06-21 US disclosed
US-9926320-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-27 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20160090386-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-31 US disclosed
EP-2999699-A1 PURINE DIONES AS WNT PATHWAY MODULATORS Agency For Science, Technology And Research (SG) 2016-03-30 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 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
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
CN-1314899-A Retinoid-associated receptor regulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-09-26 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 (10 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-20160090386-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885METAP2 3865/4885LTA4H 2505/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885METAP2 3865/4885LTA4H 2505/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885METAP2 3865/4885LTA4H 2505/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 NOTUM 4491/4885METAP2 3961/4885LTA4H 2648/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NOTUM 4043/4885METAP2 4360/4885LTA4H 3093/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NOTUM 4296/4885METAP2 3865/4885LTA4H 2505/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NOTUM 4491/4885METAP2 3961/4885LTA4H 2648/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885METAP2 3865/4885LTA4H 2505/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NOTUM 4491/4885METAP2 3961/4885LTA4H 2648/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NOTUM 4296/4885METAP2 3865/4885LTA4H 2505/4885

“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.