SCHEMBL9907509

SCHEMBL9907509

COC(=O)c1cc(C)c2nccc(-c3ccc(Cl)cc3C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
SCN9A Q15858 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
KDM5B Q9UGL1 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPK14 Q16539 2/20 0.37
GRM2 Q14416 1/20 0.37
SLC2A1 P11166 1/20 0.37
MAPT P10636 2/20 0.37
NR4A2 P43354 1/20 0.37
ALPL P05186 1/20 0.37
PLA2G2A P14555 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9907455 0.92 ALPL (0.44) MRGPRX4MAP2K4MAPTALPL
SCHEMBL9909226 0.90 CCNT1 (0.44) MRGPRX4SCN9AALPLMEN1KMT2A
SCHEMBL9907488 0.90 MAPK14 (0.41) MRGPRX4MAP2K4MAPK14GRM2MAPT
SCHEMBL9907512 0.86 KDM4C (0.47) MRGPRX4SCN9AKDM4CKDM5BGRM2
SCHEMBL9907493 0.85 CYP46A1 (0.39) KDM4CSLC2A1MAPTNR4A2ALPL
SCHEMBL9907419 0.83 MAPK14 (0.41) SCN9AMAP2K4MAPK14MAPTGPBAR1
SCHEMBL9909259 0.83 CDC7 (0.38) KDM4CKDM5BSLC2A1MAPTNR4A2
SCHEMBL9907445 0.81 NR1H2 (0.41) MAPK14MAPTKDM4EGPBAR1KMT2A
SCHEMBL9907463 0.81 NR1H2 (0.44) KDM4CMAPK14KDM4EKDM6BKDM5C
SCHEMBL9907859 0.81 HTR2B (0.42) KDM4CKDM5BGRM2

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 MRGPRX4 1163/4885SCN9A 412/4885KDM4C 1366/4885

“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.