SCHEMBL9103154

SCHEMBL9103154

COC(=O)c1ccc2ncc(Cl)c(Br)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
CSNK2A1 P68400 1/20 0.45
TP53 P04637 3/20 0.45
PAX8 Q06710 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.42
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL9907506 0.86 TP53 (0.52) HTTTSHRALOX15CSNK2A1TP53
SCHEMBL9103244 0.86 HTT (0.48) HTTTSHRALOX15CSNK2A1TP53
SCHEMBL9102374 0.84 HTT (0.47) HTTTSHRALOX15CSNK2A1TP53
SCHEMBL9907537 0.84 PAX8 (0.47) HTTTSHRALOX15TP53PAX8
SCHEMBL9909231 0.80 NOTUM (0.57) HTTTSHRALOX15TP53PAX8
SCHEMBL9907499 0.79 PLA2G2A (0.48) HTTALOX15TP53PAX8ALDH1A1
SCHEMBL1299987 0.78 ALOX15 (0.56) HTTALOX15CSNK2A1TP53PAX8
SCHEMBL9907565 0.78 TP53 (0.47) HTTTSHRALOX15CSNK2A1TP53
SCHEMBL9907564 0.78 TDP1 (0.45) HTTTSHRALOX15CSNK2A1TP53
SCHEMBL9107170 0.77 CCNC (0.49) HTTTSHRALOX15CSNK2A1TP53

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 8 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US 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 HTT 970/4885TSHR 1016/4885ALOX15 1101/4885

“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.