SCHEMBL838060

SCHEMBL838060

Cc1ccccc1Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 5/20 0.58
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 6/20 0.53
RECQL P46063 1/20 0.53
CSNK2A1 P68400 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.49
CCR4 P51679 1/20 0.46
VCP P55072 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL23540732 0.78 VCP (0.61) RAB9APOLBMAPTCSNK2A1MEN1
SCHEMBL25959176 0.78 RAB9A (0.68) RAB9ANPC1POLBTDP1L3MBTL1
SCHEMBL1823412 0.77 RAB9A (0.75) RAB9ANPC1POLBTDP1MAPT
SCHEMBL3609158 0.77 MEN1 (0.52) RAB9ANPC1POLBTDP1MAPT
SCHEMBL9378953 0.77 SREBF2 (0.56) POLBTDP1L3MBTL1MAPTMEN1
SCHEMBL7170398 0.77 L3MBTL1 (0.80) RAB9ANPC1POLBTDP1L3MBTL1
SCHEMBL2212221 0.75 RAB9A (0.46) RAB9ANPC1POLBTDP1MAPT
SCHEMBL7166063 0.75 NPC1 (0.69) RAB9ANPC1L3MBTL1MAPTMEN1
SCHEMBL1887935 0.75 RAB9A (0.76) RAB9ANPC1POLBTDP1MAPT
SCHEMBL1886477 0.75 NPC1 (0.80) RAB9ANPC1POLBTDP1L3MBTL1

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 6 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-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
WO-2014086687-A1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2014-06-12 WO 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

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 RAB9A 687/4885NPC1 959/4885POLB 2652/4885
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A RAB9A 789/4885NPC1 1006/4885POLB 3062/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT RAB9A 400/4885NPC1 115/4885POLB 2423/4885

“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.