SCHEMBL3293283

SCHEMBL3293283

Cc1cc(C)c(NC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ MAPT P10636 6/20 0.63
▸ MEN1 O00255 5/20 0.63
▸ POLB P06746 3/20 0.62
▸ GAA P10253 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ DDX3X O00571 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ LMNA P02545 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ THRB P10828 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ PKM P14618 1/20 0.53

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
SCHEMBL30434704 0.86 KMT2A (0.82) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL5455148 0.86 KMT2A (0.82) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL18940697 0.84 KMT2A (0.79) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL5448052 0.82 ALDH1A1 (0.75) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL17079601 0.82 DDX3X (0.74) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL30542218 0.80 ALDH1A1 (0.73) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL3285738 0.80 PPIA (0.70) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL15778485 0.79 MAPT (0.76) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL6811011 0.78 SMN1; SMN2 (0.81) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL31492044 0.77 KMT2A (0.73) KMT2AALDH1A1MAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 — — US disclosed
EP-1677791-A4 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-08-15 — — EP disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 — — US disclosed
EP-1677791-A2 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-07-12 — — EP disclosed
WO-2005044793-A2 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 — — 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 (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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 KMT2A 1660/4885ALDH1A1 2513/4885MAPT 4339/4885

“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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