SCHEMBL1578080

SCHEMBL1578080

CCCCCc1cn[nH]c1CCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.37
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
KCNH2 Q12809 1/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH4 Q9H3N8 3/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
XDH P47989 1/20 0.34
BID P55957 1/20 0.33

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
SCHEMBL17591101 0.80 CYP3A4 (0.39) HRH3TDP1L3MBTL1LIPGKCNH2
SCHEMBL3261204 0.78 TLR8 (0.39) HRH3TDP1L3MBTL1LIPGMEN1
SCHEMBL11765109 0.78 HRH3 (0.40) HRH3TDP1L3MBTL1LIPGALOX15
SCHEMBL324955 0.78 ALOX5 (0.41) TDP1LIPGALOX15MEN1TP53
SCHEMBL31287983 0.77 HCAR2 (0.41) TDP1ALOX15MEN1TP53CYP3A4
SCHEMBL13331949 0.75 KCNH2 (0.35) HRH3KCNH2HCAR2
SCHEMBL10674805 0.74 GAA (0.37) L3MBTL1MEN1MAPTTSHRHTT
SCHEMBL8235993 0.73 HRH3 (0.42) HRH3ALOX15CYP3A4
SCHEMBL6850310 0.73 CYP3A4 (0.44) HRH3CYP3A4HCAR2
SCHEMBL4372160 0.73 PARP1 (0.38) ALOX15MAPTHCAR3HCAR2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220184217-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF Fusion Pharmaceuticals Inc. (CA) 2022-06-16 US disclosed
EP-3946320-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF Tarveda Therapeutics, Inc. (US) 2022-02-09 EP disclosed
US-11241500-B2 HSP90-targeting conjugates and formulations thereof TARVEDA THERAPEUTICS, INC. (US) 2022-02-08 US disclosed
US-20220031853-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TVA (ABC), LLC 2022-02-03 US disclosed
WO-2021202830-A2 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2021-10-07 WO disclosed
EP-3849546-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF Tarveda Therapeutics, Inc. (US) 2021-07-21 EP disclosed
US-20210145971-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF Fusion Pharmaceuticals Inc. (CA) 2021-05-20 US disclosed
EP-3773670-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF Tarveda Therapeutics, Inc. (US) 2021-02-17 EP disclosed
US-20210000966-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TVA (ABC), LLC 2021-01-07 US disclosed
EP-3723811-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF Tarveda Therapeutics, Inc. (US) 2020-10-21 EP disclosed
EP-2310377-B1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDES MODULATING HSP90 WITH ANTITUMORAL ACTIVITIES SIGMA TAU RES SWITZERLAND SA (CH) 2015-09-16 EP disclosed
EP-2655345-B1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA TAU RES SWITZERLAND SA (CH) 2015-02-18 EP disclosed
US-20140329812-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2014-11-06 US disclosed
EP-2655345-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU Research Switzerland S.A. (CH) 2013-10-30 EP disclosed
US-8383616-B2 Aryl isoxazole compounds with antitumoural activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE SPA (IT) 2013-02-26 US disclosed
WO-2012084602-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2012-06-28 WO disclosed
US-20110245221-A1 ARYL ISOXAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITIES SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2011-10-06 US disclosed
EP-2310377-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDES MODULATING HSP90 WITH ANTITUMORAL ACTIVITIES SIGMA-TAU Research Switzerland S.A. (CH) 2011-04-20 EP disclosed
WO-2010000748-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDES MODULATING HSP90 WITH ANTITUMORAL ACTIVITIES SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2010-01-07 WO disclosed
EP-0388691-A1 Azole-1-alkanamides as antiarrhytmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP 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 (7 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-20140329812-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 HRH3 2043/4885TDP1 2771/4885L3MBTL1 4157/4885
US-20210000966-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90AA1, HSP90B1 HRH3 3918/4885TDP1 1108/4885L3MBTL1 992/4885
US-20220184217-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90B1, HSP90AA1 HRH3 3927/4885TDP1 1077/4885L3MBTL1 652/4885
US-20110245221-A1 ARYL ISOXAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITIES HSP90AB1, HSP90AB2P, HSP90AA1 HRH3 3427/4885TDP1 3306/4885L3MBTL1 4257/4885
US-11241500-B2 HSP90-targeting conjugates and formulations thereof HSP90AB1, HSP90AA1, HSP90B1 HRH3 3918/4885TDP1 1108/4885L3MBTL1 992/4885
US-20220031853-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90AA1, HSP90B1 HRH3 3918/4885TDP1 1108/4885L3MBTL1 992/4885
US-20210145971-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF HSP90AB1, HSP90B1, HSP90AA1 HRH3 3791/4885TDP1 1091/4885L3MBTL1 799/4885

“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.