SCHEMBL837871

SCHEMBL837871

CCOc1ccccc1Nc1nc(-c2ccc(OC)c(OC)c2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
RAB9A P51151 8/20 0.64
NPC1 O15118 5/20 0.64
ALOX5 P09917 2/20 0.61
MAPT P10636 7/20 0.59
ALDH1A1 P00352 4/20 0.59
GAA P10253 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP1A1 P04798 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP1B1 Q16678 2/20 0.57
RECQL P46063 1/20 0.55
MAPK1 P28482 3/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
NFKB1 P19838 1/20 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
SCHEMBL14742560 0.81 MEN1 (0.76) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL14458442 0.80 ALOX5 (0.72) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL3603836 0.80 MAPT (0.59) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL14127267 0.80 MEN1 (0.61) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL12297303 0.79 TUBB4A (0.84) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL12297344 0.79 MEN1 (0.67) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL12136771 0.79 RAB9A (0.77) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14458523 0.78 ALOX5 (0.81) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL14742678 0.78 RAB9A (1.00) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3406539 0.78 ALOX5 (0.81) MEN1KMT2ARAB9ANPC1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-08-09 US disclosed
US-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-08-09 US disclosed
US-9987256-B2 CFTR corrector for the treatment of genetic disorders affecting striated muscle UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-06-05 US disclosed
US-9987256-B2 CFTR corrector for the treatment of genetic disorders affecting striated muscle UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-06-05 US disclosed
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2015-11-19 US disclosed
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2015-11-19 US disclosed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US 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-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A MEN1 3957/4885KMT2A 3813/4885RAB9A 687/4885
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A MEN1 4212/4885KMT2A 3932/4885RAB9A 789/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT MEN1 4634/4885KMT2A 4258/4885RAB9A 400/4885

“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.