SCHEMBL3597226

SCHEMBL3597226

COc1ccc(-c2nc(C)no2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.68
RAB9A P51151 10/20 0.68
MAPT P10636 6/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
NPSR1 Q6W5P4 1/20 0.68
NR1H4 Q96RI1 3/20 0.63
S1PR1 P21453 1/20 0.63
ACHE P22303 1/20 0.62
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.57
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
PKM P14618 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HSP90AA1 P07900 1/20 0.55
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL13415305 0.86 ACHE (0.80) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL10094731 0.81 RAB9A (0.61) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL19886565 0.81 NPC1 (0.63) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL22629083 0.81 ACHE (0.57) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL10171173 0.81 SMN1; SMN2 (0.63) NPC1RAB9AMAPTSMN1; SMN2S1PR1
SCHEMBL5952948 0.80 ACHE (0.71) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL3597222 0.80 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL22628911 0.80 LMNA (0.57) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL22628917 0.80 ACHE (0.56) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL12652838 0.80 NPC1 (0.70) NPC1RAB9AMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed
US-20180050995-A1 PROCESS FOR THE PREPARATION OF TRIAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-22 US disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones KESTELEYN BART R R 2007-10-25 US disclosed
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones KESTELEYN BART R R 2007-10-25 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2005-03-10 US disclosed
EP-1487792-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
WO-2003078394-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-25 WO 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 NPC1 567/4885RAB9A 3567/4885MAPT 4231/4885
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CYP8B1, CYP2S1, CYC1 NPC1 171/4885RAB9A 2039/4885MAPT 4667/4885
US-20180050995-A1 PROCESS FOR THE PREPARATION OF TRIAZOLES CYP3A4, CYP4B1, CYP3A5 NPC1 2336/4885RAB9A 3275/4885MAPT 2569/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 NPC1 567/4885RAB9A 3567/4885MAPT 4231/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPC1 79/4885RAB9A 902/4885MAPT 1780/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPC1 79/4885RAB9A 902/4885MAPT 1780/4885
US-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators NR3C2, NR5A1, NR5A2 NPC1 465/4885RAB9A 3838/4885MAPT 3588/4885

“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.