SCHEMBL3889633

SCHEMBL3889633

CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cccs1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.82
NPSR1 Q6W5P4 3/20 0.82
HSD17B10 Q99714 6/20 0.81
KDM4E B2RXH2 4/20 0.81
POLB P06746 3/20 0.81
RXFP1 Q9HBX9 2/20 0.81
ALDH1A1 P00352 6/20 0.80
USP2 O75604 3/20 0.69
HPGD P15428 3/20 0.69
MAPK1 P28482 2/20 0.69
HTT P42858 2/20 0.68
LMNA P02545 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
KMT2A Q03164 3/20 0.66
ALOX15 P16050 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CASP1 P29466 1/20 0.66
NPC1 O15118 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66

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
SCHEMBL15983290 0.92 MAPT (0.82) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL13832070 0.92 ALDH1A1 (0.83) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL18559153 0.90 MAPT (1.00) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL22046603 0.90 MAPT (0.79) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL15983283 0.89 MAPT (0.78) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL18559259 0.89 MAPT (1.00) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL18559074 0.89 ALDH1A1 (1.00) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL15986443 0.88 ALDH1A1 (0.80) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL16797478 0.87 HSD17B10 (0.79) MAPTNPSR1HSD17B10KDM4EPOLB
SCHEMBL15983276 0.87 ALDH1A1 (0.79) MAPTNPSR1HSD17B10KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 MAPT 2323/4885NPSR1 3006/4885HSD17B10 3456/4885

“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.