SCHEMBL4597642

SCHEMBL4597642

COC(=O)c1ccnc(OCCN2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
EIF2AK2 P19525 1/20 0.48
PIK3CA P42336 1/20 0.47
MAPT P10636 1/20 0.46
GSK3B P49841 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL3118354 0.85 GAA (0.48) SMN1; SMN2GAAALDH1A1KDM4EMEN1
SCHEMBL13875983 0.85 SMN1; SMN2 (0.48) SMN1; SMN2GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL3716249 0.81 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1KDM4EMAPT
SCHEMBL385247 0.80 KDM4E (0.62) SMN1; SMN2GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL1287025 0.79 KDM5C (0.51) SMN1; SMN2ALDH1A1KDM4EEIF2AK2PIK3CA
SCHEMBL63569 0.79 SMN1; SMN2 (0.72) SMN1; SMN2GAAALDH1A1KDM4EMAPT
SCHEMBL23195583 0.79 SMN1; SMN2 (0.65) SMN1; SMN2GAAALDH1A1KDM4ETSHR
SCHEMBL8190316 0.79 SMN1; SMN2 (0.61) SMN1; SMN2GAAALDH1A1KDM4EMAPT
SCHEMBL3930162 0.79 SMN1; SMN2 (0.65) SMN1; SMN2GAAALDH1A1KDM4EMAPT
SCHEMBL3398936 0.78 SIGMAR1 (0.48) ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 SMN1; SMN2 4733/4885GAA 4258/4885L3MBTL1 2442/4885

“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.