SCHEMBL6355599

SCHEMBL6355599

COc1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 4/20 0.51
ABCB1 P08183 3/20 0.51
TDP1 Q9NUW8 2/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
POLB P06746 1/20 0.50
CHEK1 O14757 1/20 0.50
PIM1 P11309 1/20 0.50
MAPK8 P45983 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ALB P02768 2/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48

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
SCHEMBL6349877 0.88 CHEK1 (0.66) ALDH1A1TDP1ABL1RIN1POLB
SCHEMBL6353430 0.86 MAPT (0.57) SMN1; SMN2ALDH1A1ABCB1POLBALB
SCHEMBL6352362 0.86 CHEK1 (0.54) LMNAALDH1A1TDP1ABL1RIN1
SCHEMBL6359657 0.83 MAPT (0.70) SMN1; SMN2ALDH1A1TDP1POLBALB
SCHEMBL6357377 0.83 SMN1; SMN2 (0.52) LMNASMN1; SMN2ALDH1A1ABL1RIN1
SCHEMBL6351826 0.83 CHEK1 (0.53) LMNAALDH1A1TDP1ABL1RIN1
SCHEMBL11224497 0.83 LMNA (0.60) LMNASMN1; SMN2ALDH1A1ABCB1TDP1
SCHEMBL11224871 0.81 LMNA (0.62) LMNASMN1; SMN2ALDH1A1ABCB1TDP1
SCHEMBL6349404 0.81 LMNA (0.81) LMNASMN1; SMN2ALDH1A1ABCB1TDP1
SCHEMBL11233843 0.81 SERPINE1 (0.60) LMNASMN1; SMN2ALDH1A1ABCB1CHEK1

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed

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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 LMNA 4552/4885SMN1; SMN2 3015/4885ALDH1A1 462/4885

“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.