SCHEMBL7303818

SCHEMBL7303818

CC([C]=O)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4404644 1.00 FDPS (0.50) FDPSALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL10781072 1.00 FDPS (0.50) FDPSALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL9641322 0.81 FDPS (0.46) FDPSALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL85479 0.78 FDPS (0.53) FDPSALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL7747370 0.77 RAB9A (0.54) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL7747367 0.77 RAB9A (0.54) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
Ammonia Solution, Strong SCHEMBL4034014 0.76 FDPS (0.52) FDPSALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL19306616 0.76 FDPS (0.47) FDPSALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL25083172 0.75 FDPS (0.50) FDPSALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL9641327 0.75 FDPS (0.50) FDPSALDH1A1SMN1; SMN2POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356796-A2 Aminomethyl peptides, production process and their use as medicaments BAYER AG (DE) 1990-03-07 EP claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
US-20170327517-A1 Boronic Acid Inhibitors of HIV Protease NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-16 US disclosed
EP-3212196-A1 BORONIC ACID INHIBITORS OF HIV PROTEASE Wisconsin Alumni Research Foundation (US) 2017-09-06 EP disclosed
US-9738664-B2 Boronic acid inhibitors of HIV protease WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
WO-2016069955-A1 BORONIC ACID INHIBITORS OF HIV PROTEASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-05-06 WO disclosed
US-20160122366-A1 BORONIC ACID INHIBITORS OF HIV PROTEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-05 US disclosed
EP-0564972-B1 Peptides with N-terminal modifications having bradykinin antagonistic activity HOECHST AG (DE) 1999-08-11 EP disclosed
EP-0455133-B1 Peptide antagonists of bradykinin HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0413277-B1 Peptide antagonists of bradykinin HOECHST AG (DE) 1994-11-23 EP disclosed
EP-0144230-B1 GROWTH PROMOTANTS FOR ANIMALS Pfizer Limited (GB) 1990-08-08 EP disclosed
EP-0356796-A2 Aminomethyl peptides, production process and their use as medicaments BAYER AG (DE) 1990-03-07 EP disclosed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP disclosed
US-4562197-A CATTLE, POULTRY PFIZER INC. (US) 1985-12-31 US disclosed
EP-0144230-A2 Growth promotants for animals Pfizer Limited (GB) 1985-06-12 EP disclosed
US-4504414-A Synthetic pyridyl-alanyl decapeptides having antiovulatory activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1985-03-12 US disclosed
US-4504414-A Synthetic pyridyl-alanyl decapeptides having antiovulatory activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1985-03-12 US disclosed
US-4504414-A Synthetic pyridyl-alanyl decapeptides having antiovulatory activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1985-03-12 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 (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-20160122366-A1 BORONIC ACID INHIBITORS OF HIV PROTEASE PREP, DNPEP, PEPD FDPS 1516/4885ALDH1A1 2837/4885SMN1; SMN2 3374/4885
US-20170327517-A1 Boronic Acid Inhibitors of HIV Protease PREP, DNPEP, PEPD FDPS 1516/4885ALDH1A1 2837/4885SMN1; SMN2 3374/4885

“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.