SCHEMBL9909165

SCHEMBL9909165

COc1cc(F)c(-c2ccnc3ccc(C(=O)O)cc23)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.41
DDR2 Q16832 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
RXRA P19793 1/20 0.40
HTR5A P47898 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TGFBR1 P36897 1/20 0.38
GRM2 Q14416 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM5A P29375 1/20 0.38

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
SCHEMBL9909210 0.89 HTT (0.46) LMNAKDM4EMAPK1NPSR1RAB9A
SCHEMBL9907472 0.86 HTR5A (0.44) LMNAKDM4ERAB9ASLC22A12HTR5A
SCHEMBL9108194 0.86 HTR5A (0.48) LMNAKDM4ERAB9ASLC22A12HTR5A
SCHEMBL9907348 0.85 MAPKAPK2 (0.44) KDM4EMAPK1RAB9ASLC22A12HTR5A
SCHEMBL9909225 0.84 HTR5A (0.57) KDM4EMAPK1NPSR1HTR5A
Formaldehyde SCHEMBL9108251 0.84 HTR5A (0.46) LMNAKDM4ERAB9ASLC22A12HTR5A
SCHEMBL9907462 0.82 CSNK2A2 (0.43) KDM4ERAB9ASLC22A12HTR5APTGDR2
SCHEMBL9909218 0.81 PRKAB2 (0.39) LMNAMAPK1RAB9AHTTRXRA
SCHEMBL12874649 0.80 HTR5A (0.46) LMNAKDM4EMAPK1NPSR1DDR2
SCHEMBL9107247 0.79 HTT (0.48) LMNAKDM4ERAB9AHTTCYP1A2

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
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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 LMNA 4287/4885KDM4E 1474/4885MAPK1 3555/4885

“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.