SCHEMBL2269813

SCHEMBL2269813

CC(Cc1ccc(Br)cc1Cl)NC(=O)c1cn(C)nc1C(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ACACB O00763 2/20 0.37
AKT3 Q9Y243 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 1/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 1/20 0.34
AHR P35869 1/20 0.34
P2RX7 Q99572 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14344400 0.90 AKT3 (0.44) HTTAKT3AHRP2RX7RAB9A
SCHEMBL2266525 0.90 AKT3 (0.44) HTTAKT3AHRP2RX7RAB9A
SCHEMBL2266545 0.86 AHR (0.42) ACACBAKT3LMNAAHR
SCHEMBL18335063 0.84 ACACB (0.37) HTTACACBMAPK1L3MBTL1AHR
SCHEMBL3063514 0.80 ACACB (0.35) ACACBMAPK1HPGDLMNAAHR
SCHEMBL23491372 0.78 GAA (0.43) HTTACACBAKT3MAPK1HPGD
SCHEMBL17102289 0.78 GAA (0.43) HTTACACBAKT3MAPK1HPGD
SCHEMBL13666525 0.76 GAA (0.40) ACACBLMNAP2RX7RAB9ANPC1
SCHEMBL854807 0.75 MME (0.39) HTTAKT3MAPK1LMNAP2RX7
SCHEMBL23491373 0.75 MME (0.39) HTTAKT3MAPK1LMNAP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 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-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES CYP1A1, CYP51A1, CYP2E1 HTT 4044/4885ACACB 3192/4885AKT3 4545/4885

“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.