SCHEMBL3961850

SCHEMBL3961850

O=[C]OC(=O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
NAPRT Q6XQN6 1/20 0.48
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
MPO P05164 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL25373730 0.81 HSD17B10 (0.53) HSD17B10NAPRTLMNACYP1A2CYP2C19
SCHEMBL229639 0.77 LMNA (0.58) HSD17B10NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL647632 0.77 HSD17B10 (0.64) HSD17B10NAPRTLMNACYP1A2CYP2C19
SCHEMBL9298215 0.76 ALDH1A1 (0.62) LMNACYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL7989066 0.75 L3MBTL1 (0.50) HSD17B10LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL21397880 0.75 HSD17B10 (0.61) HSD17B10NAPRTLMNACYP1A2CYP2C19
SCHEMBL9364280 0.74 CES2 (0.50) LMNASMN1; SMN2CYP2C9L3MBTL1KMT2A
SCHEMBL1377356 0.74 CES2 (0.50) LMNASMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL15846816 0.74 LMNA (0.52) LMNACYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL11125513 0.74 L3MBTL1 (0.49) HSD17B10LMNAALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US claimed
CN-114344186-A Pigment stabilizer C·扎维拉 2022-04-15 CN disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
EP-0590348-B1 Central venous catheters loaded with lipodalbaheptide antibiotics preventing development of catheter related infections AVENTIS BULK S P A (IT) 2002-02-27 EP disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
US-5750509-A TREATMENT AGAINST INFECTIONS BY BACTERIA INCLUDING ENTEROCOCCUS, AND STAPHYLOCOCCUS GRUPPO LEPETIT S.P.A. (IT) 1998-05-12 US disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
EP-0596929-B1 AMIDE DERIVATIVES OF ANTIBIOTIC A 40926 LEPETIT SPA (IT) 1995-07-26 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed
EP-0590348-A1 Central venous catheters loaded with lipodalbaheptide antibiotics preventing development of catheter related infections GRUPPO LEPETIT S.p.A. (IT) 1994-04-06 EP disclosed
WO-1993003060-A1 AMIDE DERIVATIVES OF ANTIBIOTIC A 40926 GRUPPO LEPETIT S.P.A. (IT) 1993-02-18 WO disclosed
EP-0525499-A1 Amide derivatives of antibiotic A 40926 GRUPPO LEPETIT S.p.A. (IT) 1993-02-03 EP disclosed
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 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 (1 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS HSD17B10 4618/4885NAPRT 4093/4885LMNA 1992/4885

“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.