SCHEMBL617059

SCHEMBL617059

COC(=O)c1ccc2ccc(C#N)c(-c3c(F)cc(CO)cc3F)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NQO2 P16083 1/20 0.36
LCK P06239 1/20 0.36
PLAU P00749 2/20 0.35
IDH1 O75874 1/20 0.35
CYP4A11 Q02928 2/20 0.34
CYP4F2 P78329 1/20 0.34
HPGD P15428 2/20 0.34
S1PR3 Q99500 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
XDH P47989 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL10064015 0.89 MAPT (0.41) MEN1KMT2ALCKPLAUIDH1
SCHEMBL618435 0.86 ALDH1A1 (0.40) MEN1KMT2ANQO2LCKPLAU
SCHEMBL10064020 0.86 MRGPRX4 (0.39) HPGDS1PR3ALDH1A1XDHCYP11B1
SCHEMBL614777 0.84 ALDH1A1 (0.42) KMT2ALCKPLAUIDH1HPGD
SCHEMBL10063654 0.84 CYP11B2 (0.40) LCKIDH1HPGDCYP11B1CYP11B2
SCHEMBL10063762 0.81 HTR5A (0.44)
SCHEMBL10030400 0.80 MEN1 (0.37) MEN1KMT2ANQO2LCKPLAU
SCHEMBL10063842 0.80 NPC1 (0.44) KMT2ALCKPLAUIDH1KDM4E
SCHEMBL10064208 0.79 HPGD (0.43) MEN1KMT2ALCKPLAUHPGD
SCHEMBL10064016 0.79 ABL1 (0.41) KMT2AS1PR3KDM4EALDH1A1S1PR1

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 3 patents. 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
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 US disclosed
EP-2394988-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A MEN1 3578/4885KMT2A 2470/4885NQO2 752/4885

“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.