SCHEMBL14563245

SCHEMBL14563245

COC(=O)c1ccc(Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HPGD P15428 5/20 0.62
NPC1 O15118 5/20 0.62
KDM4E B2RXH2 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
GAA P10253 3/20 0.62
MAPK1 P28482 2/20 0.62
TSHR P16473 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPT P10636 7/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
RAB9A P51151 5/20 0.54
NOTUM Q6P988 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
TP53 P04637 1/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL64502 0.91 ALDH1A1 (0.72) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL1505883 0.87 MEN1 (0.64) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL21026201 0.85 ALDH1A1 (0.66) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL5457556 0.81 NPC1 (0.62) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL29244993 0.81 ALDH1A1 (0.78) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL12472851 0.81 ALDH1A1 (0.74) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL10216153 0.81 NPC1 (0.67) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL18821732 0.81 NPC1 (0.67) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL13264716 0.81 ALDH1A1 (0.60) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL71303 0.79 TSHR (0.69) ALDH1A1HPGDNPC1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072915-A1 Novel phenoxyacetamide derivative and use thereof for preparation of diphenylamines MERCK PATENT GMBH (DE) 2007-03-29 US disclosed
US-20070072915-A1 Novel phenoxyacetamide derivative and use thereof for preparation of diphenylamines MERCK PATENT GMBH (DE) 2007-03-29 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-20070072915-A1 Novel phenoxyacetamide derivative and use thereof for preparation of diphenylamines PNMT, AADAC, INMT ALDH1A1 861/4885HPGD 604/4885NPC1 4207/4885

“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.