SCHEMBL4294764

SCHEMBL4294764

[C-]#[N+]/C(C(=O)OCC)=C(\Br)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.43
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CASP1 P29466 1/20 0.41
NPC1 O15118 3/20 0.41
ELANE P08246 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 3/20 0.39
THRB P10828 1/20 0.39
PARP1 P09874 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL4294768 1.00 LMNA (0.47) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL3492575 0.84 ALDH1A1 (0.49) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL3492571 0.84 ALDH1A1 (0.49) LMNASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL9954776 0.76 CES2 (0.61) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL4286119 0.75 LMNA (0.45) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL4286121 0.75 LMNA (0.45) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL10442044 0.74 LMNA (0.52) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL27397739 0.74 LMNA (0.55) LMNASMN1; SMN2POLBTDP1MAPT
SCHEMBL641903 0.73 POLB (0.62) LMNASMN1; SMN2POLBTDP1ALDH1A1
SCHEMBL31237097 0.73 POLB (0.62) LMNASMN1; SMN2POLBTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LMNA 1785/4885SMN1; SMN2 4811/4885POLB 3799/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LMNA 1785/4885SMN1; SMN2 4811/4885POLB 3799/4885

“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.