SCHEMBL837865

SCHEMBL837865

C=[N+]([O-])c1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.73
MEN1 O00255 13/20 0.73
KMT2A Q03164 13/20 0.73
ALDH1A1 P00352 10/20 0.73
CYP1A2 P05177 6/20 0.73
CYP2C19 P33261 6/20 0.73
KDM4E B2RXH2 5/20 0.73
HPGD P15428 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
CYP3A4 P08684 4/20 0.73
CYP2D6 P10635 4/20 0.73
HTT P42858 3/20 0.73
CYP2C9 P11712 3/20 0.73
LMNA P02545 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
PPARG P37231 1/20 0.71
NCOA2 Q15596 1/20 0.71
NCOA1 Q15788 1/20 0.71
MCL1 Q07820 2/20 0.68
POLB P06746 1/20 0.68

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
SCHEMBL837705 0.92 MAPT (0.80) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL837699 0.85 MEN1 (0.82) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4512505 0.81 MEN1 (1.00) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL23270901 0.80 MAPT (0.98) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL22703718 0.79 MAPT (0.75) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4531290 0.78 PIK3CG (1.00) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4534326 0.77 MEN1 (0.83) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4512539 0.77 MEN1 (0.83) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4510185 0.77 MEN1 (0.98) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4532774 0.76 MEN1 (0.85) MAPTMEN1KMT2AALDH1A1KDM4E

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.