SCHEMBL1901415

SCHEMBL1901415

O=C(O)CN1C(=O)/C(=C/c2cc(-c3ccc(F)cc3)on2)SC1=S

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ POLB P06746 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ MAP3K5 Q99683 1/20 0.51
▸ PTPN22 Q9Y2R2 1/20 0.51

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
SCHEMBL1901418 1.00 MEN1 (0.52) MEN1POLBKMT2ANSD2MAP3K5
SCHEMBL1903872 0.91 APEX1 (0.56) MEN1POLBKMT2AMAP3K5
SCHEMBL1903874 0.91 APEX1 (0.56) MEN1POLBKMT2AMAP3K5
SCHEMBL1903203 0.90 MAPT (0.56) MEN1POLBKMT2A
SCHEMBL1905230 0.90 MAPT (0.56) MEN1POLBKMT2APTPN22
SCHEMBL1905229 0.90 MAPT (0.56) MEN1POLBKMT2APTPN22
SCHEMBL1906468 0.90 PTPN1 (0.56) MEN1POLBKMT2ANSD2MAP3K5
SCHEMBL1903205 0.90 MAPT (0.56) MEN1POLBKMT2A
SCHEMBL1906469 0.90 PTPN1 (0.56) MEN1POLBKMT2ANSD2MAP3K5
SCHEMBL1907524 0.87 MAP3K5 (0.59) MAP3K5PTPN22

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 MEN1 1839/4885POLB 3712/4885KMT2A 3345/4885

“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.

Send feedback