SCHEMBL3962871

SCHEMBL3962871

O=COC(=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 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 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

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
SCHEMBL2402587 0.84 ALDH1A1 (0.46) LMNACYP1A2ALDH1A1MAPTKMT2A
SCHEMBL2533558 0.81 HSD17B10 (0.53) HSD17B10NAPRTLMNACYP1A2CYP2C19
SCHEMBL9212492 0.81 HSD17B10 (0.53) HSD17B10NAPRTLMNACYP1A2CYP2C19
Benzene SCHEMBL28103328 0.77 LMNA (0.58) HSD17B10NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL229640 0.77 LMNA (0.58) HSD17B10NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL647632 0.77 HSD17B10 (0.64) HSD17B10NAPRTLMNACYP1A2CYP2C19
SCHEMBL9298218 0.76 ALDH1A1 (0.62) LMNACYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL22615206 0.76 CA12 (0.37) HSD17B10LMNAALDH1A1L3MBTL1KDM4E
Ammonia Solution, Strong SCHEMBL4978199 0.76 LMNA (0.56) HSD17B10NAPRTLMNASMN1; SMN2ALDH1A1
SCHEMBL8422588 0.76 LMNA (0.56) HSD17B10NAPRTLMNASMN1; SMN2ALDH1A1

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 18 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
CN-109694347-A A kind of preparation method of 2- formyl isonicotinic acid 常州工程职业技术学院 2019-04-30 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-0596929-B1 AMIDE DERIVATIVES OF ANTIBIOTIC A 40926 LEPETIT SPA (IT) 1995-07-26 EP 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.