SCHEMBL9907429

SCHEMBL9907429

[C-]#[N+]c1ccc(-c2nccc3ccc(C(=O)OC)cc23)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
LCK P06239 1/20 0.35
DYRK1A Q13627 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
RORC P51449 2/20 0.34
IDH1 O75874 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TDO2 P48775 1/20 0.34
CYP1A2 P05177 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
SCHEMBL9907436 0.87 PLAU (0.43) KDM4CRORC
SCHEMBL9907366 0.84 KMO (0.44) ALOX15HTTKDM4EKDM6BKDM5C
SCHEMBL9907917 0.81 HTR5A (0.51)
SCHEMBL9909161 0.81 CYP11B1 (0.41) ALOX15HTTIDH1CYP11B1CYP11B2
SCHEMBL9907378 0.79 ALOX15 (0.41) ALOX15HTTKDM4EKDM6BKDM5C
SCHEMBL9907392 0.79 CSNK2A2 (0.39) ALOX15HTTKDM4EKDM6BKDM5C
SCHEMBL9907602 0.76 HTR5A (0.52) ALOX15HTTRORC
SCHEMBL9100686 0.76 HTT (0.44) ALOX15HTTKDM4EKDM6BKDM5C
SCHEMBL12875031 0.76 ALOX15 (0.45) ALOX15HTTKDM4EKDM6BKDM5C
SCHEMBL9907377 0.74 ALPL (0.47) ALOX15HTTNPC1RAB9AMAP2K4

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E ALOX15 1101/4885HTT 970/4885KDM4E 1474/4885

“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.