SCHEMBL1382335

SCHEMBL1382335

C=C(C(N)=O)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NAPRT Q6XQN6 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.50
GSK3B P49841 1/20 0.48
MAPK1 P28482 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
PKM P14618 4/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
MITF O75030 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL30499331 1.00 CES2 (0.57) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL3349775 0.84 CES2 (0.57) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL4318952 0.83 CES2 (0.75) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL6611666 0.82 CES2 (0.59) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL755762 0.82 LMNA (0.63) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL4336990 0.80 CES2 (0.57) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL4341948 0.80 ALDH1A1 (0.48) CES2CES1LMNAL3MBTL1NAPRT
Hydrochloric Acid SCHEMBL1769091 0.80 LMNA (0.61) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL21585663 0.79 CES2 (0.52) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL4361791 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4828407-B2 2011-11-30 JP claimed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
US-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative TSUMURA & CO. (JP) 2005-08-25 US claimed
EP-1495757-A1 PHOSPHODIESTERASE IV INHIBITOR CONTAINING PYRIDYLACRYLAMIDE DERIVATIVE TSUMURA & CO. (JP) 2005-01-12 EP claimed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US claimed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP claimed
US-20230312646-A1 ANTIBACTERIAL PEPTIDES Universite de Bordeaux (FR) 2023-10-05 US disclosed
CN-116096712-A Novel compounds NRG治疗有限公司 2023-05-09 CN disclosed
EP-4172174-A1 ANTIBACTERIAL PEPTIDES Centre National de la Recherche Scientifique (FR) 2023-05-03 EP disclosed
WO-2022002951-A1 ANTIBACTERIAL PEPTIDES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-06 WO disclosed
EP-3932935-A1 ANTIBACTERIAL PEPTIDES Centre National de la Recherche Scientifique (FR) 2022-01-05 EP disclosed
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US disclosed
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative PDE3B, PDE3A, PDE2A CES2 1281/4885CES1 618/4885LMNA 3646/4885
US-20230312646-A1 ANTIBACTERIAL PEPTIDES VIP, NRDC, CLPP CES2 4831/4885CES1 4778/4885LMNA 4169/4885

“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.