SCHEMBL1746689

SCHEMBL1746689

CC(C)(C=NNc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.43
NPC1 O15118 10/20 0.43
MAPT P10636 8/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL11890178 1.00 RAB9A (0.43) RAB9ANPC1MAPTGAALMNA
SCHEMBL1746688 1.00 RAB9A (0.43) RAB9ANPC1MAPTGAALMNA
SCHEMBL1744771 0.76 NPSR1 (0.44) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL11891605 0.76 NPSR1 (0.44) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL11890181 0.76 NPSR1 (0.44) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL7863725 0.73 RAB9A (0.71) RAB9ANPC1MAPTGAALMNA
SCHEMBL1744766 0.72 ALDH1A1 (0.52) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL1746013 0.70 CYP3A4 (0.46) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL11670010 0.68 ALDH1A1 (0.52) RAB9ANPC1MAPTGAALMNA
SCHEMBL85405 0.68 ALDH1A1 (0.52) MAPTLMNAALDH1A1HTTSMN1; SMN2

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 9 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
US-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 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 (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-20140135393-A1 SUBSTITUTED CATHECHOLS AS INHIBITORS OF IL-4 AND IL-5 FOR THE TREATMENT BRONCHIAL ASTHMA IL5, IL4, IL33 RAB9A 4451/4885NPC1 2574/4885MAPT 3438/4885
US-20120190738-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) NOS2, NOS3, NOS1 RAB9A 3270/4885NPC1 3363/4885MAPT 4745/4885

“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.