SCHEMBL7860586

SCHEMBL7860586

CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.72
ALDH1A1 P00352 3/20 0.72
PLEC Q15149 1/20 0.72
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
MAPT P10636 4/20 0.70
NPSR1 Q6W5P4 3/20 0.70
POLB P06746 3/20 0.70
BLM P54132 2/20 0.70
HTT P42858 2/20 0.70
RECQL P46063 2/20 0.70
GAA P10253 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
DNMT1 P26358 4/20 0.68
MAPK1 P28482 3/20 0.68
PKM P14618 2/20 0.68
KDM4E B2RXH2 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
PSMD14 O00487 1/20 0.68
MMP2 P08253 1/20 0.68

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
SCHEMBL8377903 0.87 MCL1 (0.77) MCL1ALDH1A1PLECMEN1KMT2A
SCHEMBL7862701 0.86 MEN1 (0.69) MCL1MEN1KMT2AMAPTNPSR1
SCHEMBL1907633 0.84 MCL1 (0.83) MCL1ALDH1A1PLECMEN1KMT2A
SCHEMBL1907637 0.84 MCL1 (0.83) MCL1ALDH1A1PLECMEN1KMT2A
SCHEMBL1907635 0.84 MCL1 (0.83) MCL1ALDH1A1PLECMEN1KMT2A
SCHEMBL7859604 0.82 PTPN1 (0.72) MCL1MEN1KMT2AMAPTNPSR1
SCHEMBL14133153 0.82 PTPN1 (0.61) MCL1MEN1KMT2AMAPTNPSR1
SCHEMBL7852509 0.80 MEN1 (0.75) MCL1ALDH1A1PLECMEN1KMT2A
SCHEMBL14133550 0.78 CDC25B (0.60) MCL1MEN1KMT2AMAPTNPSR1
SCHEMBL7859595 0.76 P2RX3 (0.65) MCL1ALDH1A1MEN1KMT2AMAPT

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 MCL1 2737/4885ALDH1A1 4227/4885PLEC 3966/4885

“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.