SCHEMBL1744771

SCHEMBL1744771

CC(C)(C=NO)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
GABRA1 P14867 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
KDR P35968 1/20 0.42
GABRB2 P47870 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP3A4 P08684 2/20 0.42
TRPV1 Q8NER1 1/20 0.40
ATM Q13315 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11890181 1.00 NPSR1 (0.44) NPSR1PGRARGABRA1MAOA
SCHEMBL11891605 1.00 NPSR1 (0.44) NPSR1PGRARGABRA1MAOA
SCHEMBL1744766 0.80 ALDH1A1 (0.52) PGRARGABRA1MAOASLC6A2
SCHEMBL1746013 0.78 CYP3A4 (0.46) PGRARGABRA1MAOASLC6A2
SCHEMBL1746688 0.76 RAB9A (0.43) TRPV1ALDH1A1TDP1MAPK1RAB9A
SCHEMBL1746689 0.76 RAB9A (0.43) TRPV1ALDH1A1TDP1MAPK1RAB9A
SCHEMBL11890178 0.76 RAB9A (0.43) TRPV1ALDH1A1TDP1MAPK1RAB9A
SCHEMBL933157 0.75 CYP3A4 (0.50) PGRARGABRA1MAOASLC6A2
SCHEMBL85405 0.75 ALDH1A1 (0.52) NPSR1PGRARGABRA1MAOA
SCHEMBL30567467 0.75 ALDH1A1 (0.52) NPSR1PGRARGABRA1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385934-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL SCIENT IND RES (IN) 2016-05-18 EP disclosed
US-9302967-B2 Substituted cathechols as inhibitors of IL-4 and IL-5 for the treatment of bronchial asthma COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-05 US disclosed
US-9290473-B2 Inhibitors of phosphatidylinositol-3-kinase (PI3) and inducers of nitric oxide (NO) COUCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-03-22 US disclosed
WO-2012140574-A1 SUBSTITUTED CATECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-18 WO disclosed
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-07-26 US disclosed
EP-2385934-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) Council of Scientific & Industrial Research (IN) 2011-11-16 EP disclosed
US-8041964-B2 Ultra low power wake-up circuit COVIDIEN AG (CH) 2011-10-18 US disclosed
WO-2010079423-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-07-15 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 (1 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-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) NOS2, NOS3, NOS1 NPSR1 3218/4885PGR 609/4885AR 3196/4885

“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.