SCHEMBL4099188

SCHEMBL4099188

CCCC(=S)Nc1ccc(Oc2c(Br)cc(CCC(=O)OC)cc2Br)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ PKM P14618 3/20 0.49
▸ NPC1 O15118 7/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 7/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL3912255 0.88 KMT2A (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3920011 0.88 MEN1 (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL4099186 0.83 MEN1 (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3910714 0.81 KMT2A (0.46) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3909957 0.81 KMT2A (0.46) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL27890925 0.80 THRA (0.51) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3914991 0.78 MAPT (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3136070 0.77 THRA (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5351674 0.72 THRA (0.48) KMT2AMEN1PKM
SCHEMBL3689373 0.72 KMT2A (0.45) KMT2AMEN1PKMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 — — US disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 — — EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 — — 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA KMT2A 2430/4885MEN1 775/4885PKM 2806/4885

“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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