SCHEMBL3910554

SCHEMBL3910554

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 4/20 0.39
PKM P14618 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3910682 0.86 LMNA (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3140729 0.86 MAPT (0.45) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3130641 0.83 MAPK1 (0.43) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3911751 0.83 MAPT (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3141253 0.81 ALDH1A1 (0.40) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3911699 0.78 KMT2A (0.40) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3910551 0.71 THRA (0.41)
SCHEMBL4556497 0.71 THRA (0.41)
SCHEMBL3907347 0.71 THRA (0.40) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL3145982 0.71 THRB (0.40)

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 MEN1 775/4885KMT2A 2430/4885RAB9A 1482/4885

“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.