SCHEMBL2775631

SCHEMBL2775631

COC(=O)c1ccc(C(N)=NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA12 O43570 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ CA14 Q9ULX7 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ MAPT P10636 3/20 0.55
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ RAB9A P51151 4/20 0.50
▸ ACR P10323 2/20 0.50
▸ HGFAC Q04756 1/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ GRIN3A Q8TCU5 1/20 0.50

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
SCHEMBL2775628 1.00 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL13617864 1.00 CA1 (0.55) CA1CA2CA12CA9CA14
Urea SCHEMBL20838278 0.83 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL30506553 0.82 LOXL2 (0.54) CA1CA2CA12CA9CA14
SCHEMBL2773914 0.82 LOXL2 (0.54) CA1CA2CA12CA9CA14
SCHEMBL66472 0.82 LOXL2 (0.54) CA1CA2CA12CA9CA14
SCHEMBL2773919 0.82 LOXL2 (0.54) CA1CA2CA12CA9CA14
SCHEMBL30008510 0.82 LOXL2 (0.54) CA1CA2CA12CA9CA14
SCHEMBL23600 0.80 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL28993944 0.80 CA1 (0.80) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233842-B1 BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARB) AGONISTS KING S COLLEGE LONDON (GB) 2025-03-26 — — EP disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 — — EP disclosed
US-11584741-B2 Crystalline forms of 4-(5-(4,7-dimethylbenzofuran-2-yl)-1,2,4-oxadiazol-3-yl)benzoic acid and processes for their preparation KING'S COLLEGE LONDON (GB) 2023-02-21 — — US disclosed
US-11401265-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON 2022-08-02 — — US disclosed
US-20220204490-A1 Substituted 4-[5-(Benzofuran-2-yl)-1,2,4-Oxadiazol-3-yl]Benzoic Acid Compounds for Use in Therapy for Neuropathic Pain KING'S COLLEGE LONDON (GB) 2022-06-30 — — US disclosed
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-06-02 — — US disclosed
EP-3976028-A1 SUBSTITUTED 4-[5-(BENZOFURAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BENZOIC ACID COMPOUNDS FOR USE IN THERAPY FOR NEUROPATHIC PAIN King's College London (GB) 2022-04-06 — — EP disclosed
US-11286242-B2 Oxadiazoles for use in controlling phytopathogenic fungi PI INDUSTRIES LTD. (IN) 2022-03-29 — — US disclosed
CN-109415356-B Crystalline forms of 4- (5- (4, 7-dimethylbenzofuran-2-yl) -1,2, 4-oxadiazol-3-yl) benzoic acid and methods for their preparation 伦敦皇家学院 2022-03-08 — — CN disclosed
US-20210230151-A1 Crystalline Forms of 4-(5-(4,7-Dimethylbenzofuran-2-YL)-1,2,4-Oxadiazol-3-YL)Benzoic Acid and Processes for Their Preparation KING'S COLLEGE LONDON (GB) 2021-07-29 — — US disclosed
US-20050033055-A1 Edg receptor agonists MERCK SHARP & DOHME CORP. 2005-02-10 — — US disclosed
EP-1469863-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 — — EP disclosed
EP-1470137-A1 EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 — — EP disclosed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 — — EP disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 — — US disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 — — WO disclosed
WO-2003061567-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 — — WO disclosed
WO-2003062248-A2 N-(BENZYL)AMINOALKYLCARBOXYLATES, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 — — WO disclosed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 — — US disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 — — 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-11286242-B2 Oxadiazoles for use in controlling phytopathogenic fungi OXA1L, CYP51A1, CYP1A1 CA1 3515/4885CA2 2964/4885CA12 3224/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 CA1 4551/4885CA2 4477/4885CA12 4545/4885
US-11401265-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RXRB CA1 3686/4885CA2 3851/4885CA12 4441/4885
US-11584741-B2 Crystalline forms of 4-(5-(4,7-dimethylbenzofuran-2-yl)-1,2,4-oxadiazol-3-yl)benzoic acid and processes for their preparation RARB, RXRB, RARA CA1 1838/4885CA2 2392/4885CA12 3766/4885
US-20050033055-A1 Edg receptor agonists EDNRA, EDNRB, GPR65 CA1 3362/4885CA2 3141/4885CA12 3455/4885
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 CA1 3257/4885CA2 3261/4885CA12 4725/4885
US-20210230151-A1 Crystalline Forms of 4-(5-(4,7-Dimethylbenzofuran-2-YL)-1,2,4-Oxadiazol-3-YL)Benzoic Acid and Processes for Their Preparation RARB, RXRB, RARA CA1 2715/4885CA2 2591/4885CA12 4241/4885
US-20220204490-A1 Substituted 4-[5-(Benzofuran-2-yl)-1,2,4-Oxadiazol-3-yl]Benzoic Acid Compounds for Use in Therapy for Neuropathic Pain OPRK1, TRPV1, TRPA1 CA1 2854/4885CA2 633/4885CA12 3544/4885
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 CA1 3515/4885CA2 2964/4885CA12 3224/4885

“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.

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