SCHEMBL9907989

SCHEMBL9907989

COC(=O)c1ccc2c(Cl)cnc(-c3cccc(Cl)c3C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
HTR5A P47898 3/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CSNK2A1 P68400 1/20 0.40
PFKFB3 Q16875 1/20 0.39
PFKFB4 Q16877 1/20 0.39
POLB P06746 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
CTSA P10619 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA5 P31644 1/20 0.38
CREBBP Q92793 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
SCHEMBL9908018 0.90 HTR5A (0.50) TP53HTR5ACSNK2A1
SCHEMBL9907698 0.89 HTR5A (0.43) TP53HTR5AMAPTALDH1A1NR1H2
SCHEMBL9907661 0.89 HTR5A (0.52) TP53HTR5AMAPTALDH1A1CSNK2A1
SCHEMBL9107174 0.88 HTR5A (0.43) TP53HTR5AMAPTALDH1A1NR1H2
SCHEMBL9907751 0.87 HTR5A (0.47) TP53HTR5AMAPTALDH1A1NR1H2
SCHEMBL9106717 0.87 HTR5A (0.42) TP53HTR5AMAPTALDH1A1NR1H2
SCHEMBL9907758 0.87 HTR5A (0.43) TP53HTR5AMAPTALDH1A1NR1H2
SCHEMBL9908002 0.87 HTR5A (0.45) HTR5A
SCHEMBL9908015 0.85 HTR5A (0.45) TP53HTR5ANR1H2NR1H3CSNK2A1
SCHEMBL9907687 0.84 HTR5A (0.51) TP53HTR5AMAPTCSNK2A1

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 2 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-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 TP53 3013/4885HTR5A 1/4885MAPT 342/4885

“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.