SCHEMBL9907409

SCHEMBL9907409

COC(=O)c1ccc2nccc(-c3ccc(C)c(F)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
TGFBR1 P36897 1/20 0.43
SLC6A3 Q01959 1/20 0.42
DYRK1A Q13627 1/20 0.42
KMO O15229 1/20 0.42
ERN1 O75460 1/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
MTOR P42345 1/20 0.40
CREBBP Q92793 1/20 0.40
NOTUM Q6P988 1/20 0.40
KDR P35968 1/20 0.40
TLR8 Q9NR97 1/20 0.40
RET P07949 1/20 0.39
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 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
SCHEMBL9907408 0.91 ALOX15 (0.45) ALOX15HTTTGFBR1DYRK1AERN1
SCHEMBL9907412 0.87 KMO (0.50) DYRK1AKMOPIK3CATLR8KDM4E
SCHEMBL9909224 0.85 KIF11 (0.49) ALOX15HTTTGFBR1DYRK1AERN1
SCHEMBL9909221 0.83 AAK1 (0.43) ALOX15HTTTGFBR1KMOERN1
SCHEMBL9907469 0.81 TGFBR1 (0.48) ALOX15HTTTGFBR1DYRK1APIK3CA
SCHEMBL9907820 0.81 HTR5A (0.53) KMO
SCHEMBL9907325 0.80 ALOX15 (0.55) ALOX15HTTTGFBR1PIK3CAKDM4E
SCHEMBL29245472 0.80 PIK3CA (0.51) ALOX15HTTTGFBR1DYRK1APIK3CA
SCHEMBL9907399 0.80 ALOX15 (0.46) ALOX15HTTTGFBR1DYRK1AKDR
SCHEMBL9107247 0.80 HTT (0.48) ALOX15HTTTGFBR1DYRK1APIK3CA

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.