SCHEMBL9907730

SCHEMBL9907730

COC(=O)c1ccc2c(Cl)cnc(-c3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.46
ALPL P05186 1/20 0.45
HTR5A P47898 2/20 0.45
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CNR1 P21554 6/20 0.43
MAPT P10636 3/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 1/20 0.41
CSNK2A1 P68400 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 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
SCHEMBL9907697 0.91 MAP2K4 (0.45) MAP2K4ALPLHTR5ACSNK2A2CSNK2B
SCHEMBL9907692 0.90 HTR5A (0.55) MAP2K4ALPLHTR5ACSNK2A2CSNK2B
SCHEMBL9909289 0.90 MEN1 (0.45) MAP2K4HTR5ACSNK2A2CSNK2BMAPT
SCHEMBL9907714 0.90 HTR5A (0.55) MAP2K4HTR5ACSNK2A2CSNK2BMAPT
SCHEMBL9907679 0.89 HTR5A (0.44) MAP2K4HTR5ACSNK2A2CSNK2BMAPT
SCHEMBL9909276 0.88 HTR5A (0.43) HTR5ACSNK2A2CSNK2BMAPTPOLB
SCHEMBL9907683 0.88 HTR5A (0.56) MAP2K4HTR5ACSNK2A2CSNK2BMAPT
SCHEMBL9908020 0.88 HTR5A (0.48) MAP2K4HTR5ACSNK2A2CSNK2BMAPT
SCHEMBL9907661 0.86 HTR5A (0.52) HTR5ACNR1MAPTCSNK2A1
SCHEMBL9907732 0.85 SRD5A2 (0.49) MAP2K4ALPLHTR5ACNR1MAPT

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 MAP2K4 3941/4885ALPL 3611/4885HTR5A 1/4885

“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.