SCHEMBL10064016

SCHEMBL10064016

COC(=O)c1ccc2ccc(C#N)c(-c3c(F)cccc3OC)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 2/20 0.40
HTR5A P47898 1/20 0.40
PYGL P06737 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR2A P28223 1/20 0.38
CTSA P10619 1/20 0.37
IMPDH2 P12268 1/20 0.37
MAPT P10636 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAP4K1 Q92918 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 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
SCHEMBL618435 0.92 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4ECNR1GPR55
SCHEMBL10064303 0.90 LMNA (0.45) ABL1ARHTR5AALDH1A1CTSA
SCHEMBL10063692 0.85 HTR5A (0.59) ABL1HTR5A
SCHEMBL10063842 0.83 NPC1 (0.44) SMN1; SMN2PYGLALDH1A1KDM4EMAPT
SCHEMBL10064015 0.83 MAPT (0.41) SMN1; SMN2HTR5AALDH1A1KDM4EMAPT
SCHEMBL16502476 0.82 ABL1 (0.43) ABL1SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL16502474 0.82 NPC1 (0.41) SMN1; SMN2ARALDH1A1KDM4ECYP11B1
SCHEMBL10063654 0.81 CYP11B2 (0.40) CYP11B1CYP11B2
SCHEMBL10064208 0.81 HPGD (0.43) SMN1; SMN2ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL16494683 0.81 MAPT (0.43) SMN1; SMN2HTR5APYGLALDH1A1KDM4E

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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A ABL1 4314/4885SMN1; SMN2 2277/4885AR 488/4885

“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.