SCHEMBL3147583

SCHEMBL3147583

COc1ccc(C)c2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.58
COPS5 Q92905 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 2/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTR1A P08908 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
CCR1 P32246 3/20 0.49
CCR8 P51685 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL1506959 0.86 HTR1A (0.53) HTTKMT2APDE4APDE4BPDE4C
SCHEMBL13036181 0.85 KMT2A (0.50) PSMD14COPS5SLC6A2HTTKMT2A
SCHEMBL1337689 0.85 HTR1A (0.61) PSMD14COPS5SLC6A2HTTHTR1A
SCHEMBL27624147 0.82 PSMD14 (0.54) PSMD14COPS5SLC6A2HTTKMT2A
SCHEMBL18029399 0.82 PSMD14 (0.59) PSMD14COPS5SLC6A2HTTKMT2A
SCHEMBL12600028 0.81 HTR1A (0.53) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24047205 0.81 PSMD14 (0.53) PSMD14COPS5SLC6A2HTTKMT2A
SCHEMBL621309 0.80 KMT2A (0.54) HTTKMT2APDE4APDE4BPDE4C
SCHEMBL14468392 0.80 KDM4E (0.56) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL13509619 0.80 PSMD14 (0.51) PSMD14COPS5KMT2APDE4APDE4B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117645562-A Ligand for copper catalytic coupling reaction and application thereof 江西德璟生物科技有限公司 2024-03-05 CN disclosed
EP-3272880-A2 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF METASTATIC CANCER Fundació Institut de Recerca Biomèdica IRB (Barcelona) (ES) 2018-01-24 EP disclosed
US-9260555-B2 Amphiphilic macromolecule and the purpose of this amphiphilic macromolecule BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2016-02-16 US disclosed
US-9243097-B2 Amphiphilic macromolecule and the purpose of this amphiphilic macromolecule BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2016-01-26 US disclosed
US-9243097-B2 Amphiphilic macromolecule and the purpose of this amphiphilic macromolecule BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2016-01-26 US disclosed
US-20150183911-A1 AMPHIPHILIC MACROMOLECULE AND THE PURPOSE OF THIS AMPHIPHILIC MACROMOLECULE BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2015-07-02 US disclosed
US-20140350204-A1 AMPHIPHILIC MACROMOLECULE AND THE PURPOSE OF THIS AMPHIPHILIC MACROMOLECULE BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LTD. (CN) 2014-11-27 US disclosed
US-20140350204-A1 AMPHIPHILIC MACROMOLECULE AND THE PURPOSE OF THIS AMPHIPHILIC MACROMOLECULE BEIJING JUNLUN RUNZHONG SCIENCE & TECHNOLOGY CO., LTD. (CN) 2014-11-27 US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7641820-B2 Nano compounds and organic memory devices comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-05 US disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors ZHUANG LINGHANG (US) 2005-01-13 US disclosed
EP-1333831-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-08-13 EP disclosed
WO-2002036734-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-05-10 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 (2 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 PSMD14 2531/4885COPS5 2054/4885SLC6A2 3752/4885
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors POLI, CYP51A1, DUT PSMD14 1987/4885COPS5 3378/4885SLC6A2 3605/4885

“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.