SCHEMBL3912255

SCHEMBL3912255

COC(=O)CCc1cc(Br)c(Oc2ccc(NC(C)=O)c([N+](=O)[O-])c2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ PKM P14618 2/20 0.52
▸ NPC1 O15118 8/20 0.45
▸ RAB9A P51151 8/20 0.45
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 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
SCHEMBL3920011 0.92 MEN1 (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL4099188 0.88 KMT2A (0.49) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL4099186 0.87 MEN1 (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3910714 0.85 KMT2A (0.46) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3909957 0.85 KMT2A (0.46) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL27890925 0.84 THRA (0.51) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3908329 0.83 THRA (0.44) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL3914991 0.82 MAPT (0.52) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL4852458 0.81 KMT2A (0.54) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL3136070 0.81 THRA (0.45) KMT2AMEN1NPC1RAB9AMAPT

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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