SCHEMBL12366126

SCHEMBL12366126

COC(=O)c1ccc2c(c1)C(c1cccnc1Cl)=CC(C)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 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
POLB P06746 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
CSNK2A1 P68400 1/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
ALOX5 P09917 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL12366131 0.88 DHODH (0.38) MEN1KMT2APOLBAVPR2AVPR1A
SCHEMBL12389750 0.87 ALOX15 (0.43) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL12366157 0.87 ALOX15 (0.43) ALOX15HTTALDH1A1HPGDL3MBTL1
SCHEMBL12366163 0.84 KMT2A (0.42) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL12366224 0.83 L3MBTL1 (0.37) ALOX15HTTALDH1A1L3MBTL1MEN1
SCHEMBL12366189 0.83 SLC6A3 (0.46) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL12366592 0.82 HTR2B (0.42)
SCHEMBL12365205 0.81 MEN1 (0.43) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL12389982 0.81 HCRTR1 (0.43) MEN1KMT2APOLBRAB9AALOX5
SCHEMBL12366225 0.80 ALDH1A1 (0.38) ALOX15HTTALDH1A1L3MBTL1MEN1

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 1 patent. 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

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 335/4885ALDH1A1 934/4885

“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.