SCHEMBL14028849

SCHEMBL14028849

CCN(CC)C(=O)CCC(=O)N(c1ccc(C(F)(F)F)cc1)c1nccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.42
▸ CNR2 P34972 8/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL14028202 0.96 KMO (0.41) KMOCNR2CYP3A4CYP2C19PDE4B
SCHEMBL14028199 0.90 KMO (0.46) KMOCNR2CYP3A4CYP2C19PDE4B
SCHEMBL14541180 0.89 KMO (0.43) KMOCNR2CYP3A4CYP2C19PDE4B
SCHEMBL14541381 0.88 KMO (0.41) KMOCNR2CYP3A4CYP2C19PDE4B
SCHEMBL14028844 0.86 KMO (0.45) KMOCNR2CYP3A4CYP2C19PDE4B
SCHEMBL14003563 0.86 KMO (0.45) KMOCNR2CYP3A4CYP2C19PDE4B
SCHEMBL14028391 0.85 KMO (0.43) KMOCNR2CYP3A4CYP2C19PDE4B
SCHEMBL14028196 0.85 KMO (0.43) KMOCNR2CYP3A4CYP2C19PDE4B
SCHEMBL14028798 0.85 KMO (0.43) KMOCNR2NR1H2NR1H3MAPT
SCHEMBL2953842 0.85 KMO (0.48) KMOCNR2CYP3A4CYP2C19PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance WOISETSCHLAEGER MAXIMILIAN 2008-11-13 — — 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-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance IFNG, IL2, LY96 KMO 716/4885CNR2 462/4885CYP3A4 1188/4885

“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.

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