SCHEMBL410860

SCHEMBL410860

C[C](C)C(=O)Nc1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
ALOX12 P18054 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.51
FPR2 P25090 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL29809375 0.86 HDAC1 (0.63) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3472841 0.86 HDAC1 (0.63) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21138715 0.83 ALDH1A1 (0.57) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20560335 0.82 NPC1 (0.59) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2491853 0.80 LMNA (0.66) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28618912 0.79 ALDH1A1 (0.59) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31068310 0.79 KIF11 (0.66) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5428786 0.79 KIF11 (0.66) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15682730 0.79 GPR35 (0.61) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL410861 0.78 KDM4E (0.72) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT LMNA 3371/4885NPC1 271/4885RAB9A 2944/4885

“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.