SCHEMBL9909226

SCHEMBL9909226

COC(=O)c1cc(C)c2nccc(-c3ccc(Cl)cc3OC)c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.44
CDK9 P50750 3/20 0.44
SCN9A Q15858 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.38
KCNMA1 Q12791 2/20 0.37
MAPK1 P28482 1/20 0.37
ALPL P05186 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9909167 0.90 CCNT1 (0.42) CCNT1CDK9SCN9AMRGPRX4MAPK1
SCHEMBL9907509 0.90 MRGPRX4 (0.40) SCN9AMEN1KMT2AMRGPRX4ALPL
SCHEMBL9907455 0.89 ALPL (0.44) MRGPRX4ALPL
SCHEMBL9907488 0.87 MAPK14 (0.41) MEN1KMT2AMRGPRX4ALPL
SCHEMBL9909301 0.84 SLC9A1 (0.46) CCNT1CDK9SCN9A
SCHEMBL9909259 0.82 CDC7 (0.38) CCNT1CDK9KMT2A
SCHEMBL9907493 0.82 CYP46A1 (0.39) MEN1KMT2AALPLALDH1A1
SCHEMBL31510024 0.81 KDM4E (0.42) MAPK1ALDH1A1
SCHEMBL27185476 0.81 KDM4E (0.42) MAPK1ALDH1A1
SCHEMBL9907419 0.80 MAPK14 (0.41) SCN9A

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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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 CCNT1 3359/4885CDK9 2058/4885SCN9A 412/4885

“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.