SCHEMBL4777757

SCHEMBL4777757

O=C(O)/C(=C\c1cncc(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NTSR1 P30989 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
GAA P10253 1/20 0.39
MAOB P27338 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4777769 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EPOLBPKM
SCHEMBL4769572 0.83 HCAR2 (0.42) ALDH1A1KMT2APOLBHCAR2LMNA
SCHEMBL4769575 0.83 HCAR2 (0.42) ALDH1A1KMT2APOLBHCAR2LMNA
SCHEMBL4771942 0.83 HTT (0.51) ALDH1A1KMT2APOLBHCAR2LMNA
SCHEMBL4771946 0.83 HTT (0.51) ALDH1A1KMT2APOLBHCAR2LMNA
SCHEMBL4778773 0.80 KMT2A (0.48) ALDH1A1KMT2APOLBLMNAMAPT
SCHEMBL4778777 0.80 KMT2A (0.48) ALDH1A1KMT2APOLBLMNAMAPT
SCHEMBL4776434 0.77 KCNQ3 (0.47) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL4776426 0.77 KCNQ3 (0.47) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL112002 0.76 AKR1C1 (0.59) ALDH1A1KMT2AKDM4EPOLBLMNA

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-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 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-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A ALDH1A1 774/4885KMT2A 3727/4885KDM4E 2228/4885

“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.