SCHEMBL4842647

SCHEMBL4842647

CCCCCCCCC(=O)Nc1cccc(C(=O)/C=C2\NC(C)(C)Cc3ccc(OC)cc32)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CNR1 P21554 2/20 0.43
MTNR1B P49286 2/20 0.42
MTNR1A P48039 1/20 0.42
CNR2 P34972 1/20 0.42
GRK2 P25098 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 2/20 0.39

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
SCHEMBL4843171 1.00 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4842654 1.00 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4843158 1.00 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4839063 0.99 ALDH1A1 (0.46) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4839053 0.99 ALDH1A1 (0.46) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4844392 0.97 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4844404 0.97 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4838794 0.93 MTNR1B (0.47) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4838804 0.93 MTNR1B (0.47) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4835757 0.92 LMNA (0.46) ALDH1A1HPGDKMT2AMEN1LMNA

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 ALDH1A1 2636/4885HPGD 1185/4885KMT2A 4642/4885

“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.