SCHEMBL1905232

SCHEMBL1905232

O=C(O)CN1C(=O)/C(=C\c2csc3ccccc23)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.57
▸ MMP3 P08254 1/20 0.56
▸ AKR1B1 P15121 1/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ MMP13 P45452 1/20 0.56

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
SCHEMBL1905231 1.00 KMT2A (0.57) KMT2AMMP3AKR1B1PTPN1MMP13
SCHEMBL1905235 1.00 KMT2A (0.57) KMT2AMMP3AKR1B1PTPN1MMP13
SCHEMBL1902256 0.85 KMT2A (0.57) KMT2APTPN1
SCHEMBL1902258 0.85 KMT2A (0.57) KMT2APTPN1
SCHEMBL1902254 0.85 KMT2A (0.57) KMT2APTPN1
SCHEMBL23578840 0.85 TDP1 (0.54) KMT2A
SCHEMBL7859584 0.85 TDP1 (0.54) KMT2A
SCHEMBL10492272 0.81 AKR1B1 (0.78) KMT2AMMP3AKR1B1PTPN1MMP13
SCHEMBL10492265 0.81 AKR1B1 (0.78) KMT2AMMP3AKR1B1PTPN1MMP13
SCHEMBL10492318 0.81 POLB (0.66) KMT2A

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 KMT2A 3345/4885MMP3 74/4885AKR1B1 2715/4885

“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.

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