SCHEMBL9907441

SCHEMBL9907441

COC(=O)c1ccc2ncc(C)c(-c3ccc(Cl)cc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.45
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PAX8 Q06710 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
PLA2G2A P14555 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK2A1 P68400 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
SCHEMBL9907396 0.89 HTR5A (0.52) HTR5AALOX15HTTPAX8TP53
SCHEMBL9907430 0.89 NR1H2 (0.43) ALOX15HTTPAX8NR1H2NR1H3
SCHEMBL9907448 0.88 HTR5A (0.47) HTR5AMAPTLMNASMN1; SMN2
SCHEMBL9907444 0.85 HTR5A (0.47) HTR5AALOX15HTTPAX8NR1H2
SCHEMBL9907442 0.85 HTR5A (0.48) HTR5AALOX15HTTPAX8NR1H2
SCHEMBL9907480 0.84 NR1H2 (0.43) HTR5AALOX15HTTPAX8NR1H2
SCHEMBL9907595 0.83 HTR5A (0.55) HTR5AALOX15HTTPAX8TP53
SCHEMBL9907559 0.82 HTR5A (0.44) HTR5AALOX15HTTPAX8TP53
SCHEMBL9907830 0.82 HTR5A (0.68) HTR5A
SCHEMBL9103249 0.81 HTR5A (0.67) HTR5AHTTMAPTPIK3CDPIK3CA

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 5 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-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
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 HTR5A 1/4885ALOX15 1101/4885HTT 970/4885

“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.