SCHEMBL9909181

SCHEMBL9909181

COC(=O)c1ccc2ncc(Cl)c(-c3cccnc3OC)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
HDAC6 Q9UBN7 2/20 0.42
HTR5A P47898 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KCNA3 P22001 1/20 0.39
NAMPT P43490 1/20 0.39
ABL1 P00519 1/20 0.39
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CREBBP Q92793 1/20 0.38
SCN9A Q15858 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
SCHEMBL9909239 0.90 DHODH (0.43) HDAC6HTR5AMAPTHDAC3HDAC1
SCHEMBL9907581 0.88 ALOX15 (0.49) ALOX15HTTHTR5ATP53MAPT
SCHEMBL9907565 0.85 TP53 (0.47) ALOX15HTTHTR5ATP53MAPT
SCHEMBL9909236 0.85 HTR5A (0.61) HTR5A
SCHEMBL16509510 0.84 ALOX15 (0.47) ALOX15HTTHDAC6TP53MAPT
SCHEMBL9907491 0.82 HTR5A (0.52) ALOX15HTTHTR5ATP53MAPT
SCHEMBL9909273 0.80 HTR5A (0.44) ALOX15HTTHTR5ATP53MAPT
SCHEMBL9907499 0.79 PLA2G2A (0.48) ALOX15HTTTP53MAPTALDH1A1
SCHEMBL9909230 0.79 MEN1 (0.44) ALOX15HTR5ATP53MAPTSCN9A
SCHEMBL9907600 0.79 HTR5A (0.45) ALOX15HTTHTR5ATP53MAPT

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 ALOX15 1101/4885HTT 970/4885HDAC6 106/4885

“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.