SCHEMBL20338907

SCHEMBL20338907

CCN(CC)CCCOc1ncc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
HRH3 Q9Y5N1 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL2628930 0.92 LMNA (0.38) KDM4EALDH1A1TDP1
SCHEMBL20351972 0.83 HRH3 (0.43) KDM4EALDH1A1HRH3
SCHEMBL1367197 0.75
SCHEMBL22207120 0.74 FBP1 (0.38) FPR2
SCHEMBL22584978 0.71 KDM4E (0.49) KDM4EALDH1A1TDP1ATP4AATP4B
SCHEMBL9942582 0.70 LMNA (0.36) KDM4E
SCHEMBL22584976 0.68 KDM4E (0.53) KDM4EALDH1A1TDP1HRH3MAOB
SCHEMBL30692778 0.68 KDM4E (0.53) KDM4EALDH1A1TDP1HRH3MAOB
SCHEMBL20500556 0.67 DUT (0.33)
SCHEMBL10894213 0.66 KDM4E (0.58) KDM4EALDH1A1TDP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562825-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-02-16 EP disclosed
US-10961234-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 US disclosed
US-10961234-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 US disclosed
US-20190352296-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 US disclosed
US-20190352296-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 US disclosed
EP-3562825-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LifeArc (GB) 2019-11-06 EP disclosed
WO-2018122550-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 WO disclosed
WO-2018122550-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 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 (2 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-10961234-B2 Oxazole derivatives for use in the treatment of cancer PAICS, SMARCC2, OXA1L KDM4E 3490/4885ALDH1A1 635/4885TDP1 4492/4885
US-20190352296-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER PAICS, SMARCC2, OXA1L KDM4E 3490/4885ALDH1A1 635/4885TDP1 4492/4885

“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.