SCHEMBL9909301

SCHEMBL9909301

COc1cc(Cl)ccc1-c1ccnc2c(C)cc(C(=O)N=C(N)N)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 10/20 0.46
HTR2B P41595 2/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
HTR5A P47898 1/20 0.38
SCN9A Q15858 1/20 0.37
HTR7 P34969 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 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
SCHEMBL9907859 0.89 HTR2B (0.42) SLC9A1HTR2BHTR5AHTR7
SCHEMBL9907827 0.88 SLC9A1 (0.42) SLC9A1HTR2BHTR5AHTR7
SCHEMBL9907849 0.86 HTR5A (0.45) SLC9A1HTR2BHTR5AHTR7
SCHEMBL9909167 0.85 CCNT1 (0.42) CCNT1CDK9SCN9A
SCHEMBL9909226 0.84 CCNT1 (0.44) CCNT1CDK9SCN9A
SCHEMBL9909233 0.84 CDC7 (0.39) SLC9A1CCNT1CDK9HTR5A
SCHEMBL9907852 0.81 HTR5A (0.41) SLC9A1HTR5A
SCHEMBL9907860 0.80 HTR5A (0.46) SLC9A1HTR5A
SCHEMBL9907823 0.80 HTR5A (0.54) SLC9A1HTR5A
SCHEMBL9907853 0.79 HTR5A (0.44) SLC9A1HTR2BHTR5AHTR7

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 SLC9A1 1181/4885HTR2B 6/4885CCNT1 3359/4885

“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.