SCHEMBL7931362

SCHEMBL7931362

O=C(CS)Nc1ccc2oc(=O)c3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL30516134 0.74 MEN1 (0.58) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL12192038 0.74 TRPV1 (0.52) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL20211622 0.74 MEN1 (0.58) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL30625697 0.74 TP53 (0.55) KMT2AMEN1POLBL3MBTL1KDM4E
SCHEMBL21988179 0.73 NPC1 (0.64) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL30629176 0.73 TNKS (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL26766828 0.73 TNKS (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15832744 0.72 KMT2A (0.56) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL19842090 0.72 KDM4E (0.48) KMT2APOLBKDM4ENPC1RAB9A
SCHEMBL7931748 0.71 P2RY12 (0.82) KMT2AMEN1POLBMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 — — WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 — — 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 (2 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 KMT2A 799/4885MEN1 938/4885POLB 1320/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885MEN1 1392/4885POLB 3799/4885

“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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