SCHEMBL5454328

SCHEMBL5454328

COc1ccc(C)cc1NC(=O)Nc1ccc(C2=CCN(C(=O)Nc3ncccc3C#N)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
MAPT P10636 7/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 2/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
NAMPT P43490 5/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP6 Q9GZR1 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL5458381 0.92 NAMPT (0.48) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5462735 0.90 GFER (0.48) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5460612 0.88 TRPV1 (0.48) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5460127 0.88 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CASP3
SCHEMBL5454524 0.87 MAPT (0.46) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5469430 0.87 NAMPT (0.47) MAPTALDH1A1CASP3SENP7NAMPT
SCHEMBL5458442 0.85 MAPT (0.47) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5451322 0.84 MAPT (0.46) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5456914 0.83 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1CASP3
SCHEMBL5473690 0.82 GFER (0.60) MAPTALDH1A1CASP3SENP7NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 IDO1 2775/4885MAPT 758/4885MEN1 1828/4885

“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.