SCHEMBL6415048

SCHEMBL6415048

CCOC(=O)c1cccc(N2CCN(C(=O)c3cc(C)nn3-c3ccccc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
TSHR P16473 4/20 0.51
GAA P10253 3/20 0.49
LMNA P02545 7/20 0.48
MAPK1 P28482 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 3/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL6418198 0.87 TSHR (0.60) KMT2ATSHRGAALMNAMAPK1
SCHEMBL6419968 0.87 TSHR (0.50) KMT2ATSHRGAALMNAMAPK1
SCHEMBL6261073 0.86 TSHR (0.56) KMT2ATSHRLMNAMAPK1ALDH1A1
SCHEMBL6263738 0.86 TSHR (0.56) KMT2ATSHRLMNAMAPK1ALDH1A1
SCHEMBL6259250 0.86 CCKAR (0.55) KMT2ATSHRLMNAMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6414121 0.85 CCKAR (0.54) KMT2ATSHRLMNAMAPK1ALDH1A1
SCHEMBL6416255 0.84 TSHR (0.65) KMT2ATSHRLMNAMAPK1ALDH1A1
SCHEMBL6261963 0.84 TSHR (0.53) KMT2ATSHRGAALMNAMAPK1
SCHEMBL6415443 0.83 TSHR (0.59) KMT2ATSHRLMNAMAPK1ALDH1A1
SCHEMBL6261742 0.82 TSHR (0.58) KMT2ATSHRLMNAMAPK1ALDH1A1

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT KMT2A 1284/4885TSHR 4236/4885GAA 1397/4885

“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.