SCHEMBL3910682

SCHEMBL3910682

COC(=O)C(F)Cc1cc(Br)c(Oc2ccc(NC(=O)C(C)C)c([N+](=O)[O-])c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 5/20 0.46
THRB P10828 2/20 0.45
THRA P10827 1/20 0.45
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 4/20 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
SCHEMBL3140729 0.88 MAPT (0.45) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL3910554 0.86 MEN1 (0.45) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3130641 0.86 MAPK1 (0.43) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3911751 0.86 MAPT (0.50) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL3141253 0.84 ALDH1A1 (0.40) LMNAMAPTTHRBTHRAMEN1
SCHEMBL3911699 0.80 KMT2A (0.40) LMNAMAPTTHRBTHRAMEN1
SCHEMBL7071559 0.75 LMNA (0.76) LMNAMAPTTHRBMEN1KMT2A
SCHEMBL4556497 0.73 THRA (0.41) THRBTHRA
SCHEMBL3910551 0.73 THRA (0.41) THRBTHRA
SCHEMBL3907347 0.73 THRA (0.40) LMNAMAPTTHRBTHRAMEN1

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 LMNA 4052/4885MAPT 3554/4885THRB 5/4885

“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.