SCHEMBL6466360

SCHEMBL6466360

Cc1[nH]c(C(=O)OCc2ccccc2)c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
STAT1 P42224 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 2/20 0.56
POLB P06746 3/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
NR4A1 P22736 1/20 0.49
AR P10275 1/20 0.47
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL5359751 0.85 LMNA (0.52) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL5361928 0.84 AR (0.49) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL5360596 0.82 AR (0.47) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL4921544 0.80 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL5354675 0.80 AR (0.47) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL14347608 0.79 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL6467801 0.79 ESR1 (0.43) MAPTATMALDH1A1ARESR1
SCHEMBL12031669 0.77 RAB9A (0.79) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL6825312 0.75 MAPT (0.57) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL6464844 0.75 HTT (0.53) RAB9ANPC1SMN1; SMN2MAPTNPSR1

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR RAB9A 3078/4885NPC1 3711/4885SMN1; SMN2 4604/4885

“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.