SCHEMBL13159104

SCHEMBL13159104

NC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
CCR6 P51684 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4D Q08499 1/20 0.55
FLT3 P36888 4/20 0.55
MAPT P10636 8/20 0.53
ALDH1A1 P00352 6/20 0.53
POLB P06746 4/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
ALOX15 P16050 1/20 0.53
PTPN7 P35236 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
MCL1 Q07820 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL3397867 0.98 NPC1 (0.58) NPC1CCR6PDE4BPDE4DFLT3
SCHEMBL13187811 0.88 ALDH1A1 (0.47) NPC1MAPTALDH1A1POLBHPGD
SCHEMBL3914715 0.85 FLT3 (0.74) NPC1CCR6PDE4BPDE4DFLT3
SCHEMBL3394598 0.84 ALDH1A1 (0.54) NPC1CCR6PDE4BPDE4DFLT3
SCHEMBL13159113 0.83 ALDH1A1 (0.60) NPC1MAPTALDH1A1POLBHPGD
SCHEMBL21045328 0.83 FLT3 (0.67) NPC1FLT3MAPTALDH1A1POLB
SCHEMBL13183018 0.82 ALDH1A1 (0.57) NPC1FLT3MAPTALDH1A1POLB
SCHEMBL5453184 0.80 CCR6 (0.60) NPC1CCR6PDE4BPDE4DFLT3
SCHEMBL3397527 0.80 FLT3 (0.71) NPC1CCR6PDE4BPDE4DFLT3
SCHEMBL3397824 0.78 CCR6 (0.53) NPC1CCR6PDE4BPDE4DFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 US disclosed
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 US disclosed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 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-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors DNMT3B, DNMT1, DNMT3L NPC1 898/4885CCR6 2654/4885PDE4B 1757/4885

“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.