SCHEMBL9907674

SCHEMBL9907674

COC(=O)c1ccc2c(Cl)cnc(-c3ccccc3F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.52
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK14 Q16539 1/20 0.42
RORC P51449 1/20 0.41
MAPT P10636 2/20 0.41
CSNK2A1 P68400 2/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KIF11 P52732 1/20 0.40
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL9907699 0.91 HTR5A (0.51) HTR5ANPC1RAB9AMAPK14RORC
SCHEMBL9907687 0.91 HTR5A (0.51) HTR5ANPC1RAB9AMAPK14RORC
SCHEMBL9908018 0.90 HTR5A (0.50) HTR5ANPC1RAB9AMAPK14RORC
SCHEMBL9907992 0.90 HTR5A (0.50) HTR5ANPC1RAB9AMAPK14RORC
SCHEMBL9907661 0.89 HTR5A (0.52) HTR5AMAPK14MAPTCSNK2A1KMT2A
SCHEMBL9907636 0.89 HTR5A (0.64) HTR5ANPC1RAB9AMAPTKMT2A
SCHEMBL9908020 0.88 HTR5A (0.48) HTR5AMAPTCSNK2A1KMT2AMEN1
SCHEMBL9907714 0.87 HTR5A (0.55) HTR5ARORCMAPTCSNK2A1KMT2A
SCHEMBL9907731 0.87 HTR5A (0.67) HTR5ANPC1RAB9AMAPK14RORC
SCHEMBL9907751 0.87 HTR5A (0.47) HTR5AMAPK14RORCMAPTCSNK2A1

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 1/4885NPC1 753/4885RAB9A 293/4885

“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.