SCHEMBL3044972

SCHEMBL3044972

CN(C(=O)c1ccc2c(c1)OCO2)[C@H](CC(N)=O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.60
ALDH1A1 P00352 5/20 0.51
TSHR P16473 3/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 3/20 0.49
MAPT P10636 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
USP2 O75604 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3057846 1.00 HPGD (0.60) HPGDALDH1A1TSHRGAARAB9A
SCHEMBL3040894 1.00 HPGD (0.60) HPGDALDH1A1TSHRGAARAB9A
SCHEMBL3058204 0.94 TSHR (0.60) HPGDALDH1A1TSHRGAARAB9A
SCHEMBL3058328 0.94 TSHR (0.60) HPGDALDH1A1TSHRGAARAB9A
SCHEMBL3050019 0.89 NPC1 (0.47) HPGDALDH1A1TSHRRAB9AMAPT
SCHEMBL3053960 0.89 HPGD (0.47) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL3053998 0.89 HPGD (0.47) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL3044607 0.89 NPC1 (0.47) HPGDALDH1A1TSHRRAB9AMAPT
SCHEMBL3057817 0.89 HPGD (0.57) HPGDALDH1A1TSHRGAARAB9A
SCHEMBL3060197 0.87 HPGD (0.55) HPGDALDH1A1TSHRGAARAB9A

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 HPGD 756/4885ALDH1A1 15/4885TSHR 3832/4885

“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.