SCHEMBL5458442

SCHEMBL5458442

COc1ccc(C)cc1NC(=O)Nc1ccc(N2CCN(C(=O)Nc3ncccc3C#N)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
PANK3 Q9H999 1/20 0.46
RBP4 P02753 3/20 0.46
LMNA P02545 3/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
IDO1 P14902 1/20 0.44
NPC1 O15118 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL5467032 0.94 PANK3 (0.46) MAPTMEN1KMT2AALDH1A1PANK3
SCHEMBL5467111 0.89 MAPT (0.51) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL5465476 0.88 MAPT (0.49) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL5462743 0.88 RBP4 (0.56) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL5451322 0.88 MAPT (0.46) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL5466982 0.86 MAPT (0.47) MAPTMEN1KMT2AALDH1A1PANK3
SCHEMBL5465464 0.86 MAPT (0.48) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL5454328 0.85 IDO1 (0.46) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL5454308 0.85 NAMPT (0.50) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL5459962 0.85 PANK3 (0.47) MAPTMEN1KMT2AALDH1A1TP53

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 MAPT 758/4885MEN1 1828/4885KMT2A 1350/4885

“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.