SCHEMBL240958

SCHEMBL240958

CCOc1ccc2cc(C#N)c(=O)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 4/20 1.00
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CA12 O43570 5/20 0.61
CA7 P43166 5/20 0.61
CA1 P00915 4/20 0.61
CA5B Q9Y2D0 4/20 0.61
CA4 P22748 4/20 0.61
MAOB P27338 4/20 0.61
CA2 P00918 4/20 0.61
CA5A P35218 3/20 0.61
MAOA P21397 1/20 0.61
KDM4E B2RXH2 5/20 0.60
MAPT P10636 3/20 0.60
CA9 Q16790 5/20 0.58
CA6 P23280 4/20 0.58
CA14 Q9ULX7 4/20 0.58
CYP1A2 P05177 1/20 0.58
MIF P14174 1/20 0.57
ALDH1A1 P00352 5/20 0.54

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
SCHEMBL385923 0.90 GLA (0.81) GLAMEN1KMT2ACA12CA7
SCHEMBL11149402 0.89 GLA (0.81) GLAMEN1KMT2ACA12CA7
SCHEMBL11501433 0.87 GLA (0.77) GLAMEN1KMT2ACA12CA7
SCHEMBL1104929 0.86 GLA (0.76) GLAMEN1KMT2ACA12CA7
SCHEMBL1094715 0.84 GLA (1.00) GLAMEN1KMT2ACA12CA7
SCHEMBL1093778 0.82 MAOB (0.72) GLAMEN1KMT2ACA12CA7
SCHEMBL8834661 0.82 GLA (0.69) GLAMEN1KMT2ACA12CA7
SCHEMBL1827383 0.82 GLA (0.69) GLAMEN1KMT2ACA12CA7
SCHEMBL1104935 0.81 GLA (0.67) GLAMEN1KMT2ACA12CA7
SCHEMBL1104933 0.81 GLA (0.72) GLAMEN1KMT2ACA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106216-A1 Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods TOYO BOSEKI KABUSHIKI KAISHA (JP) 2004-06-03 US claimed
EP-1378751-A2 Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods Toyo Boseki Kabushiki Kaisha (JP) 2004-01-07 EP claimed
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
EP-4731223-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY Universitat De Barcelona (ES) 2026-04-29 EP disclosed
US-20250197401-A1 PURINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2025-06-19 US disclosed
WO-2024261340-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY UNIVERSITAT DE BARCELONA (ES) 2024-12-26 WO disclosed
EP-3741760-B1 COMPOUNDS, PROCESS FOR OBTAINING THE COMPOUNDS, PHARMACEUTICAL COMPOSITION, USE OF THE COMPOUNDS AND METHOD FOR TREATING PSYCHIATRIC DISORDERS AND/OR SLEEP DISORDERS ACHE LABORATORIOS FARMACEUTICOS SA (BR) 2024-12-04 EP disclosed
US-20240269228-A1 SELECTIVE PENICILLAMINE SUBSTITUTION ENABLES DEVELOPMENT OF A POTENT ANALGESIC PEPTIDE THAT ACTS THROUGH A NON-OPIOID BASED MECHANISM UNIVERSITY OF UTAH RESEARCH FOUNDATION 2024-08-15 US disclosed
US-20240245647-A1 ISOMEROHYDROLASE INHIBITOR FOR TREATMENT OF ATROPHIC FORM OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-07-25 US disclosed
EP-4379062-A1 BIOSYSTEM FOR PESTICIDE DETECTION Fundación AZTI - AZTI Fundazioa (ES) 2024-06-05 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed
WO-2000067907-A2 SAMPLE EVAPORATIVE CONTROL ACLARA BIOSCIENCES, INC. (US) 2000-11-16 WO disclosed
US-6143492-A COMPOUND USEFUL AS AN OPTICAL PROBE; DRUG SCREENING AURORA BIOSCIENCES CORPORATION (US) 2000-11-07 US disclosed
US-6130342-A A 2-OXOCHROMAN COMPOUND CONTAINING A QUATERNARY AMINE GROUP GENTEST CORPORATION (US) 2000-10-10 US disclosed
WO-2000035900-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY AURORA BIOSCIENCES CORPORATION (US) 2000-06-22 WO disclosed
WO-2000022159-A1 7-ALKOXYCOUMARINS AS CYP2C9 SUBSTRATES SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
WO-2000004008-A1 NOVEL CYP2D FLUORESCENT ASSAY REAGENTS GENTEST CORPORATION (US) 2000-01-27 WO disclosed
WO-1999058710-A1 7-ALKOXYCOUMARINS AS CYTOCHROME P450 SUBSTRATES SMITHKLINE BEECHAM PLC (GB) 1999-11-18 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 (2 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-20240245647-A1 ISOMEROHYDROLASE INHIBITOR FOR TREATMENT OF ATROPHIC FORM OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE ALDH1A2, HSD17B14, SPINT2 GLA 264/4885MEN1 4606/4885KMT2A 2375/4885
US-20250197401-A1 PURINONE DERIVATIVE BTK, KIT, SYK GLA 3756/4885MEN1 3212/4885KMT2A 2132/4885

“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.