SCHEMBL4837503

SCHEMBL4837503

CCCCCc1ccc(C(=O)Nc2ccc(C(=O)C=C3NC(C)(C)Cc4ccc(OC)cc43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.47
PLK3 Q9H4B4 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 3/20 0.41
CFTR P13569 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
KCNA5 P22460 1/20 0.40
NAMPT P43490 2/20 0.40
CCR5 P51681 1/20 0.39
MGAT2 Q10469 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 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
SCHEMBL4837494 1.00 PLK1 (0.47) PLK1PLK3ABCG2KDM4ECFTR
SCHEMBL4844736 0.99 PLK1 (0.48) PLK1PLK3ABCG2KDM4ECFTR
SCHEMBL4844715 0.99 PLK1 (0.48) PLK1PLK3ABCG2KDM4ECFTR
SCHEMBL4834977 0.98 KDM4E (0.44) PLK1PLK3ABCG2KDM4ETRPV1
SCHEMBL4834983 0.98 KDM4E (0.44) PLK1PLK3ABCG2KDM4ETRPV1
SCHEMBL4838615 0.94 ABCG2 (0.49) PLK1PLK3ABCG2KDM4ENAMPT
SCHEMBL4838623 0.94 ABCG2 (0.49) PLK1PLK3ABCG2KDM4ENAMPT
SCHEMBL4844205 0.92 PLK1 (0.46) PLK1PLK3CFTRTRPV1KCNA5
SCHEMBL4844194 0.92 PLK1 (0.46) PLK1PLK3CFTRTRPV1KCNA5
SCHEMBL4842418 0.92 PLK1 (0.47) PLK1PLK3CFTRTRPV1KCNA5

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
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 PLK1 541/4885PLK3 2079/4885ABCG2 4483/4885

“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.