SCHEMBL999861

SCHEMBL999861

CC(C(=O)O)c1cc(N)cc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.45
PTGS1 P23219 10/20 0.43
CXCR1 P25024 4/20 0.43
CXCR2 P25025 4/20 0.43
LMNA P02545 3/20 0.43
SLC22A6 Q4U2R8 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PMP22 Q01453 2/20 0.43
CXCL8 P10145 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
AKR1C3 P42330 8/20 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
SCHEMBL7076065 0.95 PTGS2 (0.45) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL7080519 0.80 NPC1 (0.46) LMNAMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1001487 0.80 PTGS2 (0.44) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL360725 0.79 PTGS1 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL8579553 0.79 PTGS1 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL5846200 0.79 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL8960142 0.79 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL29994454 0.78 LMNA (0.46) LMNAMAPTKDM4EALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1177638 0.78 PTGS1 (0.57) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL2818028 0.77 PTGS2 (0.61) PTGS2PTGS1CXCR1CXCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003896-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2022-10-21 CN disclosed
CN-111116912-A Polyimide resin, preparation method thereof and method for preparing polyimide film/cross-linked polyimide film by using polyimide resin 山东华夏神舟新材料有限公司 2020-05-08 CN disclosed
CN-105694914-A Liquid crystal aligning agent, liquid crystal alignment film formed by liquid crystal aligning agent and liquid crystal display element 奇美实业股份有限公司 2016-06-22 CN disclosed
CN-105694913-A Liquid crystal aligning agent, liquid crystal alignment film formed by liquid crystal aligning agent and liquid crystal display element 奇美实业股份有限公司 2016-06-22 CN disclosed
CN-105647181-A Composition for flexible substrate and flexible substrate 奇美实业股份有限公司 2016-06-08 CN disclosed
CN-105567258-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly CHI MEI CORP 2016-05-11 CN disclosed
CN-105567257-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2016-05-11 CN disclosed
CN-105482830-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2016-04-13 CN disclosed
CN-105462598-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element CHI MEI CORP 2016-04-06 CN disclosed
CN-105316004-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2016-02-10 CN disclosed
CN-105087019-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element CHI MEI CORP 2015-11-25 CN disclosed
CN-105087020-A Liquid crystal alignment agent and application thereof CHI MEI CORP 2015-11-25 CN disclosed
CN-105038818-A Liquid crystal alignment agent and application thereof CHI MEI CORP 2015-11-11 CN disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 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 (3 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 PTGS2 4421/4885PTGS1 4248/4885CXCR1 850/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 PTGS2 3443/4885PTGS1 3011/4885CXCR1 571/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH PTGS2 2742/4885PTGS1 2224/4885CXCR1 4631/4885

“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.