SCHEMBL3054628

SCHEMBL3054628

CN(C(=O)c1ccc2c(c1)OCC2)C(CC(N)=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
ROCK2 O75116 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CA P42336 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
SCHEMBL3058304 1.00 TSHR (0.47) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3057296 0.92 TSHR (0.47) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3058328 0.89 TSHR (0.60) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3058204 0.89 TSHR (0.60) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3058308 0.89 TSHR (0.46) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3054633 0.89 TSHR (0.46) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3057846 0.85 HPGD (0.60) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3044972 0.85 HPGD (0.60) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3040894 0.85 HPGD (0.60) TSHRHPGDGAAALDH1A1LMNA
SCHEMBL3057298 0.80 TRPM8 (0.48) TSHRHPGDGAAALDH1A1LMNA

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 TSHR 3832/4885HPGD 756/4885GAA 1920/4885

“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.