SCHEMBL5459942

SCHEMBL5459942

O=C1N=C(c2ccccc2)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.43
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ADK P55263 1/20 0.38
CYP1A2 P05177 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1624199 0.96 ALDH1A1 (0.46) ALDH1A1MAPTGAALMNATSHR
SCHEMBL11296183 0.79 PTGS2 (0.40) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL5260781 0.76 ALDH1A1 (0.37) ALDH1A1MAPTGAALMNATSHR
SCHEMBL20298909 0.71 KDR (0.38) KMT2APARP1
SCHEMBL4633787 0.69 MAPT (0.44) ALDH1A1MAPTGAALMNATSHR
SCHEMBL8809436 0.67 MAPT (0.39) ALDH1A1MAPTGAALMNATSHR
SCHEMBL6736006 0.65 ALDH1A1 (0.54) ALDH1A1MAPTGAALMNATSHR
SCHEMBL114611 0.64 PTGS2 (0.67) GSK3B
SCHEMBL24457588 0.64 ALDH1A1 (0.49) ALDH1A1MAPTGAALMNATSHR
SCHEMBL8656886 0.64 MAPT (0.40) ALDH1A1MAPTGAALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57012009-A None JP disclosed
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 WO disclosed
JP-S5712009-A PRODUCTION OF WATER-SOLUBLE POLYMER NIPPON KAYAKU CO LTD 1982-01-21 JP 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-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 ALDH1A1 531/4885MAPT 4454/4885GAA 4785/4885

“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.