SCHEMBL837705

SCHEMBL837705

Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.80
MEN1 O00255 13/20 0.80
KMT2A Q03164 13/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
MCL1 Q07820 3/20 0.80
LMNA P02545 2/20 0.80
POLB P06746 1/20 0.80
ALDH1A1 P00352 11/20 0.74
CYP2C19 P33261 7/20 0.74
CYP1A2 P05177 6/20 0.74
CYP3A4 P08684 5/20 0.74
KDM4E B2RXH2 5/20 0.74
HPGD P15428 5/20 0.74
CYP2D6 P10635 4/20 0.74
CYP2C9 P11712 4/20 0.74
HTT P42858 3/20 0.74
NPSR1 Q6W5P4 2/20 0.74
PPARG P37231 1/20 0.72
NCOA2 Q15596 1/20 0.72
NCOA1 Q15788 1/20 0.72

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
SCHEMBL837865 0.92 MAPT (0.73) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL4512505 0.89 MEN1 (1.00) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL837699 0.86 MEN1 (0.82) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL838276 0.82 MEN1 (0.59) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL13125792 0.81 CFTR (1.00) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL23270901 0.81 MAPT (0.98) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL22703718 0.80 MAPT (0.75) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL4531290 0.78 PIK3CG (1.00) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL4534326 0.78 MEN1 (0.83) MAPTMEN1KMT2ASMN1; SMN2MCL1
SCHEMBL4512539 0.78 MEN1 (0.83) MAPTMEN1KMT2ASMN1; SMN2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT MAPT 4358/4885MEN1 4634/4885KMT2A 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.