SCHEMBL9909245

SCHEMBL9909245

COc1cc(F)c(-c2c(C)c(C)nc3ccc(C(=O)O)cc23)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.57
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
APOBEC3A P31941 1/20 0.40
YWHAG P61981 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALPG P10696 1/20 0.40

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
SCHEMBL9909255 0.88 HTR5A (0.53) HTR5AKDM4ERAB9AALDH1A1HPGD
SCHEMBL9907623 0.87 HTR5A (0.62) HTR5ATDP1KDM4EHTTRAB9A
SCHEMBL9907608 0.87 HTR5A (0.72) HTR5ATDP1KDM4EHTTRAB9A
SCHEMBL9909297 0.86 HTR5A (0.80) HTR5AKDM4E
SCHEMBL9907615 0.85 HTR5A (0.59) HTR5ATDP1KDM4ELMNAHTT
SCHEMBL9907738 0.84 HTR5A (0.58) HTR5ATDP1KDM4EHTTRAB9A
SCHEMBL9909173 0.82 HTR5A (0.49) HTR5ATDP1KDM4ELMNAHTT
SCHEMBL9907657 0.79 HTR5A (0.56) HTR5ATDP1KDM4ELMNAHTT
SCHEMBL9907579 0.78 LMNA (0.54) HTR5ATDP1KDM4ELMNAHTT
SCHEMBL9907631 0.77 HTR5A (0.51) HTR5ATDP1KDM4ELMNAHTT

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 HTR5A 1/4885TDP1 964/4885KDM4E 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.