SCHEMBL9907404

SCHEMBL9907404

COC(=O)c1ccc2nccc(-c3ccccc3C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
TGFBR1 P36897 1/20 0.48
DYRK1A Q13627 1/20 0.45
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL31731754 0.90 ALOX15 (0.49) ALOX15HTTDYRK1AMAPTKDM4C
SCHEMBL9907393 0.88 HTT (0.51) ALOX15HTTTGFBR1DYRK1AMAPT
SCHEMBL9909202 0.86 HTT (0.51) ALOX15HTTTGFBR1MAPTGAA
SCHEMBL9907406 0.85 KDM4C (0.52) HTTDYRK1AMAPTTP53KDM4C
SCHEMBL9907325 0.84 ALOX15 (0.55) ALOX15HTTTGFBR1MAPTKDM4C
SCHEMBL9907341 0.83 HTT (0.48) ALOX15HTTTGFBR1DYRK1AMAPT
SCHEMBL9909186 0.83 ALOX15 (0.48) ALOX15HTTTGFBR1DYRK1AMAPT
SCHEMBL9907324 0.82 ALOX15 (0.57) ALOX15HTTTGFBR1DYRK1AMAPT
SCHEMBL9907339 0.81 ALOX15 (0.49) ALOX15HTTTGFBR1MAPTTP53
SCHEMBL9907405 0.81 ALOX15 (0.43) ALOX15HTTTGFBR1DYRK1AMAPT

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 970/4885TGFBR1 3632/4885

“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.