SCHEMBL9909277

SCHEMBL9909277

COC(=O)c1ccc2c(F)cnc(-c3ccc(F)cc3OC)c2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.50
HTR5A P47898 5/20 0.50
MAP2K4 P45985 1/20 0.44
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
PARP1 P09874 1/20 0.42
SCN5A Q14524 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9909195 0.90 HTR5A (0.51) SCN9AHTR5ACCNT1CDK9SCN5A
SCHEMBL9907503 0.90 HTR5A (0.53) SCN9AHTR5AMAP2K4PARP1
SCHEMBL9909286 0.89 HTR5A (0.53) SCN9AHTR5AMAP2K4CCNT1CDK9
SCHEMBL9909280 0.89 SCN9A (0.52) SCN9AHTR5AMAP2K4KCNQ3KCNQ2
SCHEMBL9907752 0.87 HTR5A (0.51) HTR5AMAP2K4PARP1
SCHEMBL9907515 0.86 HTR5A (0.67) SCN9AHTR5AMAP2K4PARP1SCN5A
SCHEMBL9909310 0.84 HTR5A (0.73) SCN9AHTR5A
SCHEMBL9908000 0.83 HTR5A (0.47) HTR5ACYP1A2CYP2C19
SCHEMBL9907703 0.82 MAP2K4 (0.54) HTR5AMAP2K4PARP1
SCHEMBL9104780 0.82 HTR5A (0.72) SCN9AHTR5AMAP2K4KCNQ3KCNQ2

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 3 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
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 SCN9A 412/4885HTR5A 1/4885MAP2K4 3941/4885

“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.