SCHEMBL154696

SCHEMBL154696

COc1ccc(C(C)=O)c(I)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
HPGD P15428 5/20 0.65
CYP3A4 P08684 2/20 0.65
MAPK1 P28482 2/20 0.65
RAB9A P51151 2/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.45
PGR P06401 2/20 0.45
SLC6A2 P23975 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
AR P10275 1/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL3404282 0.85 SMN1; SMN2 (0.54) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL6931977 0.83 NPC1 (0.50) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL4216899 0.83 KDM4E (0.56) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL13094612 0.82 ALDH1A1 (0.71) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL31338897 0.81 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL10013752 0.80 NPC1 (0.47) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL1539315 0.78 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4MAPK1RAB9A
Peonol Methyl Ether SCHEMBL246262 0.78 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL31003335 0.78 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4MAPK1RAB9A
Paeonol SCHEMBL3710243 0.78 HPGD (1.00) ALDH1A1HPGDCYP3A4MAPK1RAB9A

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 US disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2021-09-23 US disclosed
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors CURIS, INC. (US) 2020-11-24 US disclosed
US-20200062754-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2020-02-27 US disclosed
EP-2427431-A1 NOVEL INDICATOR PLATFORM Biosynth AG (CH) 2012-03-14 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 WO disclosed
EP-2069324-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS Curis, Inc. (US) 2009-06-17 EP disclosed
WO-2008115719-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. (US) 2008-09-25 WO disclosed
WO-2008115719-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. (US) 2008-09-25 WO disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 US disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 US disclosed
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS, INC. 2008-09-25 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 (6 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-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2720/4885HPGD 719/4885CYP3A4 4236/4885
US-20080234314-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2720/4885HPGD 719/4885CYP3A4 4236/4885
US-20210292317-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2720/4885HPGD 719/4885CYP3A4 4236/4885
US-20200062754-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2720/4885HPGD 719/4885CYP3A4 4236/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2720/4885HPGD 719/4885CYP3A4 4236/4885
US-10844056-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2720/4885HPGD 719/4885CYP3A4 4236/4885

“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.