SCHEMBL15919103

SCHEMBL15919103

Cc1cc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)no1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.75
ALDH1A1 P00352 5/20 0.75
NPSR1 Q6W5P4 4/20 0.75
USP2 O75604 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
CASP1 P29466 2/20 0.75
CASP7 P55210 2/20 0.75
NPC1 O15118 1/20 0.75
RAB9A P51151 1/20 0.75
KMT2A Q03164 10/20 0.63
POLB P06746 3/20 0.63
MEN1 O00255 8/20 0.59
HPGD P15428 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
FOXM1 Q08050 2/20 0.57
RXFP1 Q9HBX9 2/20 0.56
KDM4E B2RXH2 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL18999965 0.81 FOXM1 (0.68) MAPTALDH1A1NPSR1USP2SMN1; SMN2
SCHEMBL429729 0.81 FOXM1 (0.85) MAPTALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL23009467 0.80 KMT2A (0.73) MAPTALDH1A1SMN1; SMN2CASP1CASP7
SCHEMBL14955051 0.80 KMT2A (0.76) MAPTALDH1A1SMN1; SMN2CASP1CASP7
SCHEMBL18805545 0.80 KMT2A (0.62) MAPTALDH1A1NPSR1USP2SMN1; SMN2
SCHEMBL19769226 0.79 KMT2A (0.74) MAPTALDH1A1CASP1CASP7NPC1
SCHEMBL426216 0.79 KMT2A (0.79) MAPTALDH1A1NPSR1USP2SMN1; SMN2
SCHEMBL430632 0.79 KMT2A (0.64) MAPTALDH1A1NPSR1USP2SMN1; SMN2
SCHEMBL13186379 0.78 KMT2A (0.63) MAPTALDH1A1NPSR1USP2SMN1; SMN2
SCHEMBL4892272 0.76 LMNA (0.73) MAPTALDH1A1NPSR1USP2SMN1; 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 2 patents. 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
WO-2014116859-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS THE UNIVERSITY OF CHICAGO (US) 2014-07-31 WO 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 3330/4885ALDH1A1 725/4885NPSR1 3987/4885

“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.