SCHEMBL5787722

SCHEMBL5787722

Cc1cc(O)nc(/C=C/c2ccc(C#N)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
FBP1 P09467 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
HDAC2 Q92769 1/20 0.36
MAOB P27338 1/20 0.35
CYP2A6 P11509 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL5787728 1.00 P4HB (0.38) P4HBPPARGPPARAALDH1A1L3MBTL1
SCHEMBL5790999 0.85 HRH4 (0.48) P4HBFBP1
SCHEMBL5790996 0.85 HRH4 (0.48) P4HBFBP1
SCHEMBL8101255 0.83 APP (0.46) PPARGALDH1A1HPGDMAPTLMNA
SCHEMBL8101251 0.83 APP (0.46) PPARGALDH1A1HPGDMAPTLMNA
SCHEMBL5792255 0.82 MAOB (0.38) ALDH1A1L3MBTL1HPGDALOX12FBP1
SCHEMBL5792260 0.82 MAOB (0.38) ALDH1A1L3MBTL1HPGDALOX12FBP1
SCHEMBL4713012 0.80 GRM4 (0.49) ALDH1A1L3MBTL1HPGDMAPTLMNA
SCHEMBL4713014 0.80 GRM4 (0.49) ALDH1A1L3MBTL1HPGDMAPTLMNA
SCHEMBL5788387 0.78 PTGS2 (0.54) HPGDALOX12MAPTLMNAKDM4E

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
EP-1335906-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
US-6657060-B2 Neuropeptide Y antagonists; treatment of eating disorders such as obesity and hyperphagia HOFFMAN-LA ROCHE INC. 2003-12-02 US disclosed
EP-1335906-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2003-08-20 EP disclosed
US-20020086858-A1 Pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 US disclosed
WO-2002038551-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2002-05-16 WO 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-20020086858-A1 Pyrimidine derivatives NPY1R, NPY5R, NPY4R P4HB 4213/4885PPARG 679/4885PPARA 653/4885

“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.