SCHEMBL838280

SCHEMBL838280

COc1ccc(-c2csc(Nc3ncccc3C)n2)cc1C

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 0.87
NPC1 O15118 14/20 0.87
KMT2A Q03164 13/20 0.87
MEN1 O00255 12/20 0.87
MAPT P10636 8/20 0.87
GAA P10253 7/20 0.87
SMN1; SMN2 Q16637 4/20 0.87
ALDH1A1 P00352 3/20 0.87
NFKB1 P19838 3/20 0.73
NFKB2 Q00653 3/20 0.73
RELA Q04206 3/20 0.73
KDM4E B2RXH2 3/20 0.69
POLB P06746 3/20 0.69
ALOX12 P18054 1/20 0.69
BLM P54132 1/20 0.69
LMNA P02545 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HSP90AA1 P07900 1/20 0.60
SLC2A1 P11166 1/20 0.60
AGTR1 P30556 1/20 0.60

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
SCHEMBL18029503 0.93 RAB9A (1.00) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL29858646 0.85 RAB9A (1.00) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3407963 0.85 RAB9A (1.00) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL24358168 0.82 RAB9A (0.72) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL30745766 0.82 RAB9A (0.72) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL16137473 0.82 RAB9A (0.82) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL16137398 0.80 RAB9A (0.85) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL16137396 0.77 NPC1 (0.79) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL24358063 0.76 NPC1 (0.75) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL29601192 0.76 NPC1 (0.75) RAB9ANPC1KMT2AMEN1MAPT

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 16 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
EP-3030657-B1 LIGASE E3 RNF185 INHIBITORS AND USES THEREOF COMMISSARIAT ENERGIE ATOMIQUE (FR) 2018-07-18 EP 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-20160194644-A1 LIGASE E3 RNF185 INHIBITORS AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-07-07 US disclosed
EP-3030657-A1 LIGASE E3 RNF185 INHIBITORS AND USES THEREOF Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2016-06-15 EP 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
WO-2015018831-A1 LIGASE E3 RNF185 INHIBITORS AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-02-12 WO disclosed
EP-2835423-A1 Ligase E3 RNF185 inhibitors and uses thereof Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2015-02-11 EP 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-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 RAB9A 687/4885NPC1 959/4885KMT2A 3813/4885
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A RAB9A 789/4885NPC1 1006/4885KMT2A 3932/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT RAB9A 400/4885NPC1 115/4885KMT2A 4258/4885

“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.