SCHEMBL9907430

SCHEMBL9907430

COC(=O)c1ccc2ncc(C)c(-c3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
ALPL P05186 1/20 0.43
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.41
PAX8 Q06710 1/20 0.41
MAPT P10636 3/20 0.40
PLA2G2A P14555 1/20 0.40
POLB P06746 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CSNK2A1 P68400 1/20 0.39
CREBBP Q92793 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
MAP2K4 P45985 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL9907441 0.89 HTR5A (0.45) NR1H2NR1H3ALOX15HTTTP53
SCHEMBL9907442 0.89 HTR5A (0.48) NR1H2NR1H3ALOX15HTTTP53
SCHEMBL9907438 0.87 SRD5A2 (0.45) MAPTCSNK2A2CSNK2BKDM4ESMN1; SMN2
SCHEMBL9907559 0.86 HTR5A (0.44) ALOX15HTTTP53PAX8MAPT
SCHEMBL9907380 0.83 NR1H2 (0.49) NR1H2NR1H3ALOX15HTTTP53
SCHEMBL9907600 0.83 HTR5A (0.45) ALOX15HTTTP53PAX8MAPT
SCHEMBL9907829 0.81 HTR5A (0.59)
SCHEMBL9909230 0.81 MEN1 (0.44) ALOX15TP53MAPTKDM4ETSHR
SCHEMBL12875074 0.81 HTR5A (0.51) ALDH1A1
SCHEMBL9907338 0.80 HTT (0.47) ALPLALOX15HTTTP53MAPT

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 NR1H2 705/4885NR1H3 911/4885ALPL 3611/4885

“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.