SCHEMBL3285793

SCHEMBL3285793

Cc1cc(C)c(NC(=S)Nc2cccc([N+](=O)[O-])c2O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ CXCR1 P25024 1/20 0.48
▸ CXCR2 P25025 1/20 0.48
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ GPR35 Q9HC97 2/20 0.44
▸ PLA2G1B P04054 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17897743 0.80 AKT1 (0.64) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3285738 0.75 PPIA (0.70) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3293283 0.74 KMT2A (0.67) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL17897756 0.73 AKT1 (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL25206832 0.73 LMNA (0.59) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5388300 0.71 MAPK1 (0.57) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL15484217 0.71 KDM4E (0.63) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL28034503 0.70 LMNA (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11825436 0.70 GPR35 (0.64) ALDH1A1CXCR1CXCR2CRHBPCRHR2
SCHEMBL3285007 0.69 KDM4E (0.41) ALDH1A1LMNAMAPTGAANPC1

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 ALDH1A1 2513/4885CXCR1 211/4885CXCR2 105/4885

“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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