SCHEMBL12366157

SCHEMBL12366157

COC(=O)c1ccc2c(c1)C(c1cccnc1F)=CC(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDK2 Q15119 2/20 0.37
RAB9A P51151 4/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
MCL1 Q07820 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL12366169 0.88 TDP1 (0.38) MEN1KMT2ASMN1; SMN2POLB
SCHEMBL12366126 0.87 ALOX15 (0.45) ALOX15HTTNISCHALDH1A1HPGD
SCHEMBL12389750 0.87 ALOX15 (0.43) ALOX15HTTNISCHALDH1A1HPGD
SCHEMBL12365856 0.84 NPC1 (0.45) HTTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12366136 0.82 RAB9A (0.41) HTTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12366599 0.82 HTR2B (0.42)
SCHEMBL12366242 0.81 IL2 (0.38) ALDH1A1L3MBTL1MEN1KMT2APDK2
SCHEMBL12389982 0.81 HCRTR1 (0.43) MEN1KMT2APDK2RAB9AMAPT
SCHEMBL12365205 0.81 MEN1 (0.43) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL12366178 0.81 ALPL (0.37) ALDH1A1HPGDMEN1KMT2APDK2

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E ALOX15 894/4885HTT 335/4885NISCH 1277/4885

“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.