SCHEMBL4722006

SCHEMBL4722006

COC(=O)c1cccc(-c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
DHODH Q02127 1/20 0.56
MAPT P10636 4/20 0.56
ADORA3 P0DMS8 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
FPR2 P25090 1/20 0.47
GAA P10253 1/20 0.47
SCN9A Q15858 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL4720507 0.89 MAPT (0.46) MAPK1DHODHMAPTALDH1A1KDM4E
SCHEMBL4710515 0.87 ALDH1A1 (0.57) MAPK1DHODHMAPTADORA3ALDH1A1
SCHEMBL4718383 0.87 SCN9A (0.47) MAPK1DHODHMAPTALDH1A1KDM4E
SCHEMBL13187658 0.86 HDAC8 (0.51) MAPK1DHODHMAPTADORA3ALDH1A1
SCHEMBL4718395 0.86 SMPD1 (0.52) DHODHMAPTALDH1A1KDM4EMEN1
SCHEMBL4722080 0.85 PDE4D (0.49) MAPK1DHODHFPR2
SCHEMBL1179838 0.82 CYP11B1 (0.56) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL17144996 0.81 KDM4E (0.65) MAPK1MAPTALDH1A1KDM4ENPC1
SCHEMBL25002929 0.81 ADORA3 (0.52) MAPTADORA3ALDH1A1KDM4ENPC1
SCHEMBL4436292 0.80 NOTUM (0.57) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative ASTELLAS PHARMA INC. (JP) 2004-09-30 US disclosed
EP-1396487-A1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 EP disclosed
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 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-20040192701-A1 Phenlypyridine carbonyl piperazine derivative PDE5A, PDE4A, PDE3B MAPK1 2180/4885DHODH 301/4885MAPT 4798/4885

“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.