SCHEMBL366591

SCHEMBL366591

S=C=Nc1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAOA P21397 2/20 0.40
KDM4E B2RXH2 2/20 0.40
FLT3 P36888 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX15 P16050 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL1656932 0.81 CYP2A6 (0.44) CYP2A6TDP1HSD17B10HPGDALDH1A1
SCHEMBL14697329 0.77 KDM4E (0.47) CYP2A6TDP1HSD17B10HPGDALDH1A1
SCHEMBL9808744 0.75 HPGD (0.50) CYP2A6TDP1HSD17B10HPGDALDH1A1
SCHEMBL30175364 0.75 HPGD (0.50) CYP2A6TDP1HSD17B10HPGDALDH1A1
SCHEMBL5057117 0.74 CYP2A6 (0.53) CYP2A6TDP1HSD17B10HPGDALDH1A1
SCHEMBL2855183 0.69 CYP2A6 (0.64) CYP2A6TDP1HSD17B10HPGDALDH1A1
SCHEMBL9036959 0.69 LOXL2 (0.44) CYP2A6TDP1HSD17B10HPGDALDH1A1
SCHEMBL562260 0.69 FLT3 (0.48) CYP2A6TDP1HSD17B10HPGDKDM4E
SCHEMBL1259018 0.67 FLT3 (0.55) HPGDALDH1A1KDM4EFLT3CYP1A2
SCHEMBL329952 0.66 KDM4E (0.48) CYP2A6TDP1HSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11890382-B2 Edible plant-derived microvesicle compositions for diagnosis and treatment of disease UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2024-02-06 US disclosed
US-20230176038-A1 Methods for Identifying Modulators of Insect Transient Receptor Potential Channels BASF CORP (US) 2023-06-08 US disclosed
US-20230149316-A1 EDIBLE PLANT-DERIVED MICROVESICLE COMPOSITIONS FOR DIAGNOSIS AND TREATMENT OF DISEASE UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2023-05-18 US disclosed
EP-3311172-B1 METHODS FOR IDENTIFYING COMPOUNDS THAT DIRECTLY BIND TO INSECT TRANSIENT RECEPTOR POTENTIAL CHANNELS BASF SE (DE) 2021-05-19 EP disclosed
EP-3087391-B1 METHODS FOR DETERMINING MODULATORS OF INSECT TRANSIENT RECEPTOR POTENTIAL V (TRPV) CHANNEL BASF SE (DE) 2021-05-19 EP disclosed
EP-3735982-A1 TARGETING GDF6 AND BMP SIGNALING FOR ANTI-MELANOMA THERAPY The University of Massachusetts (US) 2020-11-11 EP disclosed
US-20200246438-A1 TARGETING GDF6 AND BMP SIGNALING FOR ANTI-MELANOMA THERAPY UNIV MASSACHUSETTS (US) 2020-08-06 US disclosed
US-20200188311-A1 EDIBLE PLANT-DERIVED MICROVESICLE COMPOSITIONS FOR DIAGNOSIS AND TREATMENT OF DISEASE UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2020-06-18 US disclosed
EP-3268025-B1 TARGETING GDF6 AND BMP SIGNALING FOR ANTI-MELANOMA THERAPY UNIV MASSACHUSETTS (US) 2020-05-06 EP disclosed
US-20180220653-A1 Methods for Identifying Compounds that Directly Bind to Insect Transient Receptor Potential Channels BASF SE (DE) 2018-08-09 US disclosed
WO-2003004604-A9 PHAGE DISPLAYED PDZ DOMAIN LIGANDS GENENTECH INC (US) 2004-04-15 WO disclosed
WO-2004003554-A1 A METHOD FOR THE DETECTION OF APOPTOSIS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2004-01-08 WO disclosed
US-20030235611-A1 Direct cellular energy delivery system NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-25 US disclosed
WO-2003096973-A2 A DIRECT CELLULAR ENERGY DELIVERY SYSTEM UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2003-11-27 WO disclosed
WO-2003097792-A2 POLYPEPTIDE IMMOBILIZATION THE UNIVERSITY OF CHICAGO (US) 2003-11-27 WO disclosed
WO-2003086174-A2 A NEW METHOD FOR THE DIAGNOSIS AND PROGNOSIS OF MALIGNANT DISEASES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2003-10-23 WO disclosed
US-20030194754-A1 Method for the diagnosis and prognosis of malignant diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
US-20030148264-A1 Phage displayed PDZ domain ligands GENENTECH, INC. 2003-08-07 US disclosed
US-20030119054-A1 Polypeptide immobilization NATIONAL SCIENCE FOUNDATION 2003-06-26 US disclosed
WO-2003004604-A2 PHAGE DISPLAYED PDZ DOMAIN LIGANDS GENENTECH, INC. (US) 2003-01-16 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 (3 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-20030148264-A1 Phage displayed PDZ domain ligands PDLIM5, CD2BP2, GOPC CYP2A6 4814/4885TDP1 1941/4885HSD17B10 4024/4885
US-20030119054-A1 Polypeptide immobilization SURF4, QPCTL, QPCT CYP2A6 2505/4885TDP1 1446/4885HSD17B10 2543/4885
US-20030235611-A1 Direct cellular energy delivery system NSF, MTREX, SLC25A6 CYP2A6 3741/4885TDP1 1758/4885HSD17B10 1866/4885

“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.