SCHEMBL17586014

SCHEMBL17586014

CCN1CCc2nc3sc(C(=O)Nc4ccccc4-c4ccccc4)c(N)c3cc2C1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.73
POLB P06746 2/20 0.73
TP53 P04637 8/20 0.73
KMT2A Q03164 1/20 0.73
SMN1; SMN2 Q16637 2/20 0.70
ACKR3 P25106 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
THRB P10828 1/20 0.61

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
SCHEMBL17585998 0.89 TP53 (0.78) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL17585985 0.89 SMN1; SMN2 (0.84) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL17585999 0.88 MAPT (0.78) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL17585986 0.88 MAPT (0.83) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL18537583 0.85 MAPT (0.91) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL426425 0.85 MAPT (1.00) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL430178 0.84 KMT2A (1.00) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL17586005 0.83 MAPT (0.78) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL17585989 0.83 KMT2A (0.75) MAPTPOLBTP53KMT2ASMN1; SMN2
SCHEMBL17585996 0.83 MAPT (0.86) MAPTPOLBTP53KMT2ASMN1; SMN2

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-20160074373-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS THE UNIVERSITY OF CHICAGO (US) 2016-03-17 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-20160074373-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS CLINT1, QSOX1, ACOX1 MAPT 3330/4885POLB 972/4885TP53 1476/4885

“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.