SCHEMBL4564372

SCHEMBL4564372

C=CCc1nccnc1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH2 P05091 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARD Q03181 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1465555 0.83 CCNB2 (0.30) XDHALDH1A1
SCHEMBL11213548 0.73 PDE3B (0.31)
SCHEMBL11788495 0.73 FFAR1 (0.31)
SCHEMBL10417506 0.73 MAPKAPK2 (0.33)
SCHEMBL28323729 0.73 PDXK (0.32) NPSR1
SCHEMBL1525816 0.72 ALDH1A1 (0.59) XDHGABRA1GABRB2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6676790 0.71 ALDH1A1 (0.57) XDHGABRA1GABRB2ALDH1A1KDM4E
SCHEMBL10716783 0.71 KDM4E (0.37) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL28988139 0.71 ADORA3 (0.34) KDM4EMEN1HPGDKMT2A
SCHEMBL11327091 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371330-C Method for separating and purifying polyhydroxy alkyl pyrazine compound from sugar ammonia reaction liquid CHINA TOBACCO HUNAN IND CORP (CN) 2008-02-27 CN claimed
CN-1289487-C Method for separation purification of polyhydroxy-alkyl-pyrazine from suger amine reaction liquid CHANGSHA CIGARETTE FACTORY (CN) 2006-12-13 CN claimed
CN-1803779-A Method for purifying polyhydroxy alkyl pyrazine compound from browning reaction liquor CHANGSHA CIGARETTE FACTORY (CN) 2006-07-19 CN claimed
CN-1603313-A Method for separation purification of polyhydroxy-alkyl-pyrazine from suger amine reaction liquid CHANGSHA CIGARETTE FACTORY (CN) 2005-04-06 CN claimed
JP-5246805-A None JP disclosed
CN-118184589-A Preparation process of deoxyfructosazine and application of deoxyfructosazine and fructosazine in cosmetics 大连理工大学 2024-06-14 CN disclosed
US-8198461-B2 Process for the preparation of 3-cyano-1,2,4-triazoles AMPAC FINE CHEMICALS LLC. (US) 2012-06-12 US disclosed
US-20090292122-A1 PROCESS FOR THE PREPARATION OF CYANO-SUBSTITUTED-NITROGEN-CONTAINING HETEROARYL COMPOUNDS AMPAC FINE CHEMICALS LLC (US) 2009-11-26 US disclosed
WO-2009137742-A1 PROCESS FOR THE PREPARATION OF CYANO-SUBSTITUTED-NITROGEN-CONTAINING HETEROARYL COMPOUNDS AMPAC FINE CHEMICALS LLC (US) 2009-11-12 WO disclosed
CN-100371330-C Method for separating and purifying polyhydroxy alkyl pyrazine compound from sugar ammonia reaction liquid CHINA TOBACCO HUNAN IND CORP (CN) 2008-02-27 CN disclosed
CN-1289487-C Method for separation purification of polyhydroxy-alkyl-pyrazine from suger amine reaction liquid CHANGSHA CIGARETTE FACTORY (CN) 2006-12-13 CN disclosed
CN-1289487-C Method for separation purification of polyhydroxy-alkyl-pyrazine from suger amine reaction liquid CHANGSHA CIGARETTE FACTORY (CN) 2006-12-13 CN disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 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 (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-20090292122-A1 PROCESS FOR THE PREPARATION OF CYANO-SUBSTITUTED-NITROGEN-CONTAINING HETEROARYL COMPOUNDS ASNS, NCL, NBAS XDH 1916/4885GABRA1 1400/4885GABRB2 1017/4885

“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.