SCHEMBL15975294

SCHEMBL15975294

CC/N=C/c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TRPA1 O75762 7/20 0.43
ABCB11 O95342 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NFE2L2 Q16236 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MPO P05164 1/20 0.40

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
SCHEMBL14069055 1.00 CYP1A2 (0.45) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20824955 0.88 ALDH1A1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19439614 0.81 GRIN2D (0.47) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5728585 0.79 KMT2A (0.52) CYP1A2KMT2AALDH1A1TRPA1HPGD
SCHEMBL5728586 0.79 KMT2A (0.52) CYP1A2KMT2AALDH1A1TRPA1HPGD
SCHEMBL12323221 0.79 SMN1; SMN2 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20824956 0.79 ALDH1A1 (0.45) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14069064 0.79 SMN1; SMN2 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28354023 0.77 GRIN1 (0.48) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20961830 0.77 ALDH1A1 (0.70) KMT2AALDH1A1SMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408392-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-08-09 US disclosed
US-20140378461-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
US-8815935-B2 Inhibitors of protein prenyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-25 US disclosed
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 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 (3 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-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB CYP1A2 3618/4885GRIN2D 4856/4885GRIN3B 4493/4885
US-20140378461-A1 NOVEL COMPOUNDS CYP1B1, DDT, CYP51A1 CYP1A2 21/4885GRIN2D 2915/4885GRIN3B 2992/4885
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB CYP1A2 3618/4885GRIN2D 4856/4885GRIN3B 4493/4885

“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.