SCHEMBL6283812

SCHEMBL6283812

CCNCCCNC(=O)NCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX1 P07099 6/20 0.52
CYP1A2 P05177 1/20 0.50
KDM1A O60341 5/20 0.48
EPHX2 P34913 1/20 0.47
TSHR P16473 1/20 0.44
SAT1 P21673 3/20 0.42
PAOX Q6QHF9 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
SCHEMBL6290243 0.95 EPHX1 (0.58) CYP2C19MEN1GLAKMT2AEPHX1
SCHEMBL6287287 0.93 EPHX1 (0.61) CYP2C19MEN1GLAKMT2AEPHX1
SCHEMBL12913672 0.93 EPHX1 (0.54) CYP2C19MEN1GLAKMT2AEPHX1
SCHEMBL12914936 0.91 EPHX1 (0.58) CYP2C19MEN1GLAKMT2AEPHX1
SCHEMBL13135023 0.91 EPHX1 (0.61) MEN1KMT2AEPHX1EPHX2
SCHEMBL12914917 0.89 EPHX1 (0.61) CYP2C19MEN1GLAKMT2AEPHX1
SCHEMBL6290512 0.87 EPHX1 (0.63) CYP2C19MEN1GLAKMT2AEPHX1
SCHEMBL14559572 0.87 PAOX (0.59) CYP2C19MEN1GLAKMT2AEPHX1
SCHEMBL6287295 0.86 MAPT (0.44) EPHX1EPHX2TSHRSAT1
SCHEMBL6289584 0.86 EPHX1 (0.44) CYP2C19MEN1GLAKMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 US disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 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 (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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 CYP2C19 1012/4885MEN1 4674/4885GLA 4537/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 CYP2C19 2978/4885MEN1 4186/4885GLA 4019/4885

“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.