SCHEMBL3638868

SCHEMBL3638868

COC(=O)Nc1ccccc1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PLAU P00749 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
ENPP2 Q13822 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LIPE Q05469 2/20 0.40
F10 P00742 1/20 0.40
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3790971 0.84 HPGD (0.43) HPGDALDH1A1LMNAALOX15HSD17B10
SCHEMBL11659356 0.83 HPGD (0.64) HPGDALDH1A1LMNAALOX15HSD17B10
SCHEMBL1008543 0.82 LMNA (0.47) LMNAKMT2AMEN1HTTLIPE
SCHEMBL29525132 0.82 LMNA (0.47) LMNAKMT2AMEN1HTTLIPE
SCHEMBL3789131 0.82 ALDH1A1 (0.60) HPGDALDH1A1LMNAHSD17B10KMT2A
SCHEMBL3790083 0.82 ALDH1A1 (0.60) HPGDALDH1A1KMT2AMEN1HTT
SCHEMBL3792868 0.81 HPGD (0.47) HPGDALDH1A1LMNAALOX15HSD17B10
SCHEMBL29469169 0.80 ALDH1A1 (0.59) HPGDALDH1A1LMNAHSD17B10KMT2A
SCHEMBL56441 0.80 GAA (0.50) HPGDALDH1A1LMNAALOX15HSD17B10
SCHEMBL3149525 0.80 RAB9A (0.45) HPGDALDH1A1HSD17B10SMN1; SMN2LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 HPGD 2790/4885ALDH1A1 4339/4885LMNA 3250/4885

“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.