SCHEMBL3911751

SCHEMBL3911751

COC(=O)C(F)Cc1cc(Br)c(Oc2ccc(NC(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
NPC1 O15118 8/20 0.50
RAB9A P51151 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPK1 P28482 3/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 6/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 2/20 0.43
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL3140729 0.85 MAPT (0.45) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL3910554 0.83 MEN1 (0.45) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL3130641 0.83 MAPK1 (0.43) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL3914991 0.83 MAPT (0.52) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL3141253 0.81 ALDH1A1 (0.40) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL3911699 0.77 KMT2A (0.40) MAPTNPC1RAB9AKMT2AMAPK1
SCHEMBL4556497 0.71 THRA (0.41)
SCHEMBL3910551 0.71 THRA (0.41)
SCHEMBL3907347 0.71 THRA (0.40) MAPTKMT2ALMNAMEN1ALDH1A1

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 MAPT 3554/4885NPC1 1919/4885RAB9A 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.