SCHEMBL3050472

SCHEMBL3050472

CN(C(=O)c1ccccc1)[C@H](CC(N)=O)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CCR3 P51677 1/20 0.37
NSD2 O96028 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL3053955 1.00 TDP1 (0.41) TDP1MMP2MMP9MMP12KMT2A
SCHEMBL3058401 0.91 HTR1A (0.44) KMT2AHTR1AEPHX1ALDH1A1LMNA
SCHEMBL3059936 0.91 HTR1A (0.44) KMT2AHTR1AEPHX1ALDH1A1LMNA
SCHEMBL3045269 0.91 HTR1A (0.44) KMT2AHTR1AEPHX1ALDH1A1LMNA
SCHEMBL3053993 0.87 NPY5R (0.41) HTR1AALDH1A1PPARGPPARA
SCHEMBL3040848 0.87 NPY5R (0.41) HTR1AALDH1A1PPARGPPARA
SCHEMBL3057173 0.86 NR1I2 (0.39) KMT2AHTR1AEPHX1ALDH1A1PPARG
SCHEMBL3052727 0.86 NR1I2 (0.39) KMT2AHTR1AEPHX1ALDH1A1PPARG
SCHEMBL3055132 0.86 MAPK14 (0.47) KMT2AKDM4EHPGD
SCHEMBL3055357 0.86 MAPK14 (0.47) KMT2AKDM4EHPGD

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 TDP1 1379/4885MMP2 3080/4885MMP9 4320/4885

“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.