SCHEMBL7859595

SCHEMBL7859595

COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.65
PSD A5PKW4 1/20 0.65
CDC25B P30305 2/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
POLB P06746 3/20 0.57
DNMT1 P26358 2/20 0.57
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
DUSP3 P51452 2/20 0.56
PTPN1 P18031 7/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.55
GALK1 P51570 1/20 0.55

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
SCHEMBL14133550 0.93 CDC25B (0.60) P2RX3PSDCDC25BMEN1KMT2A
SCHEMBL3171373 0.87 PTPN1 (0.76) P2RX3PSDCDC25BMEN1KMT2A
SCHEMBL3171364 0.87 PTPN1 (0.76) P2RX3PSDCDC25BMEN1KMT2A
SCHEMBL3171382 0.87 PTPN1 (0.76) P2RX3PSDCDC25BMEN1KMT2A
SCHEMBL7852509 0.86 MEN1 (0.75) MEN1KMT2APOLBDNMT1MAPT
SCHEMBL7862701 0.85 MEN1 (0.69) MEN1KMT2APOLBDNMT1MAPT
SCHEMBL7862713 0.83 CDC25B (0.69) P2RX3PSDCDC25BMEN1KMT2A
SCHEMBL7859604 0.82 PTPN1 (0.72) MEN1KMT2APOLBDNMT1MAPT
SCHEMBL14133153 0.82 PTPN1 (0.61) MEN1KMT2APOLBDNMT1MAPT
SCHEMBL17298736 0.79 P2RX3 (1.00) P2RX3PSDCDC25BMEN1KMT2A

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-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 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-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 P2RX3 2768/4885PSD 2034/4885CDC25B 1960/4885

“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.