SCHEMBL4844850

SCHEMBL4844850

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(C#N)cc1)NC(C)(C)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CNR1 P21554 1/20 0.39
CASP1 P29466 1/20 0.39
CNR2 P34972 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL4844858 1.00 MDM2 (0.41) MDM2CA1CA2CA4CA7
SCHEMBL4841454 0.87 MAPT (0.39) MDM2MAPTCYP3A4ALOX15CNR1
SCHEMBL4844707 0.87 MDM2 (0.41) MDM2MAPTCYP3A4ALOX15CNR1
SCHEMBL4839812 0.80 SNCA (0.39) MDM2MAPTCYP3A4ALOX15CNR1
SCHEMBL4844210 0.80 KMT2A (0.43) MDM2MAPTCYP3A4ALOX15CNR1
SCHEMBL4835102 0.80 MDM2 (0.39) MDM2MAPTCYP3A4ALOX15CNR1
SCHEMBL4844224 0.80 KMT2A (0.43) MDM2MAPTCYP3A4ALOX15CNR1
SCHEMBL4839829 0.80 SNCA (0.39) MDM2MAPTCYP3A4ALOX15CNR1
SCHEMBL4844276 0.80 MDM2 (0.39) MDM2MAPTCYP3A4ALOX15CNR1
SCHEMBL4838257 0.80 LMNA (0.42) MDM2MAPTCYP3A4ALOX15CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 MDM2 1856/4885CA1 2309/4885CA2 2847/4885

“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.