SCHEMBL4876595

SCHEMBL4876595

O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 2/20 0.64
PORCN Q9H237 1/20 0.64
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.63
KMT2A Q03164 2/20 0.62
LMNA P02545 5/20 0.60
MAPT P10636 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 2/20 0.60
MAPK1 P28482 1/20 0.56
HPGD P15428 2/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL4869365 0.87 KMT2A (0.70) CYP3A4ALDH1A1KDM4EKMT2ALMNA
SCHEMBL14544253 0.84 CYP3A4 (0.66) CYP3A4CYP2D6PORCNALDH1A1KMT2A
SCHEMBL4869349 0.84 CYP3A4 (0.68) CYP3A4CYP2D6PORCNALDH1A1KDM4E
SCHEMBL16197998 0.82 PORCN (0.75) CYP3A4CYP2D6PORCNALDH1A1KDM4E
SCHEMBL16197934 0.78 PORCN (1.00) CYP3A4CYP2D6PORCNALDH1A1KMT2A
SCHEMBL14112021 0.77 KDM4E (0.77) CYP3A4ALDH1A1KDM4EKMT2ALMNA
SCHEMBL14544266 0.77 KMT2A (0.62) CYP3A4CYP2D6ALDH1A1KDM4EKMT2A
SCHEMBL11555450 0.77 CYP3A4 (0.60) CYP3A4CYP2D6PORCNALDH1A1KMT2A
SCHEMBL16197793 0.76 PORCN (0.74) CYP3A4CYP2D6PORCNALDH1A1KMT2A
SCHEMBL16201303 0.76 PORCN (0.78) CYP3A4CYP2D6PORCNALDH1A1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166310-A1 Administration of 2-oxyacetamide compounds for promoting and/or inducing and/or stimulating the pigmentation of keratin materials and/or for limiting the depigmentation and/or bleaching thereof L'OREAL (FR) 2008-07-10 US disclosed
US-20080166310-A1 Administration of 2-oxyacetamide compounds for promoting and/or inducing and/or stimulating the pigmentation of keratin materials and/or for limiting the depigmentation and/or bleaching thereof L'OREAL (FR) 2008-07-10 US disclosed
US-20080166310-A1 Administration of 2-oxyacetamide compounds for promoting and/or inducing and/or stimulating the pigmentation of keratin materials and/or for limiting the depigmentation and/or bleaching thereof L'OREAL (FR) 2008-07-10 US disclosed
US-20070092467-A1 Oxyacetamide compounds useful for stimulating or inducing the growth and/or retarding the loss of keratin fibers L'OREAL (FR) 2007-04-26 US disclosed
US-20070092467-A1 Oxyacetamide compounds useful for stimulating or inducing the growth and/or retarding the loss of keratin fibers L'OREAL (FR) 2007-04-26 US disclosed
US-20070092467-A1 Oxyacetamide compounds useful for stimulating or inducing the growth and/or retarding the loss of keratin fibers L'OREAL (FR) 2007-04-26 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 (2 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-20070092467-A1 Oxyacetamide compounds useful for stimulating or inducing the growth and/or retarding the loss of keratin fibers HPGD, KRT18, PTGS1 CYP3A4 1728/4885CYP2D6 642/4885PORCN 959/4885
US-20080166310-A1 Administration of 2-oxyacetamide compounds for promoting and/or inducing and/or stimulating the pigmentation of keratin materials and/or for limiting the depigmentation and/or bleaching thereof KRT18, TYR, CRYAA CYP3A4 3483/4885CYP2D6 2386/4885PORCN 1930/4885

“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.