SCHEMBL5821768

SCHEMBL5821768

CCOC(=O)c1nc2cc[nH]c2cc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ SIRT2 Q8IXJ6 4/20 0.40
▸ SIRT1 Q96EB6 3/20 0.40
▸ SIRT3 Q9NTG7 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ GLP1R P43220 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CASP3 P42574 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
SCHEMBL8832261 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDNPSR1MAOA
SCHEMBL10323102 0.83 GLP1R (0.49) KDM4EALDH1A1HPGDNPSR1PKN1
SCHEMBL5823297 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL31556445 0.71 MAOB (0.47) KDM4EALDH1A1HPGDPKN1PKN2
SCHEMBL31556446 0.71 MAOB (0.47) KDM4EALDH1A1HPGDPKN1PKN2
SCHEMBL30675159 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL21060155 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL10289638 0.70 JAK2 (0.48) KDM4EALDH1A1HPGDNPSR1MAOA
SCHEMBL21060383 0.68 KMO (0.44) KDM4EALDH1A1HPGD
SCHEMBL28722407 0.68 KDM4E (0.45) KDM4EALDH1A1HPGDNPSR1GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 — — WO disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 — — 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-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 KDM4E 2446/4885ALDH1A1 1498/4885HPGD 1667/4885

“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.

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