SCHEMBL7085153

SCHEMBL7085153

N#C/C(C(=O)c1ccc(OC(F)(F)F)cc1)=C1\CCCN1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
TSHR P16473 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.64
MAPK1 P28482 1/20 0.64
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
RAPGEF3 O95398 2/20 0.42
TRPV1 Q8NER1 3/20 0.38
PREP P48147 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPAS1 Q99814 1/20 0.36

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
SCHEMBL6171653 1.00 MEN1 (0.64) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL6172393 0.84 MEN1 (0.69) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL7086102 0.84 MEN1 (0.69) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL14559436 0.82 MEN1 (0.43) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL5361050 0.82 MEN1 (0.43) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL5361053 0.82 MEN1 (0.43) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL6172072 0.79 MAPT (0.74) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL7755244 0.76 SMN1; SMN2 (0.50) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL7079886 0.76 NPC1 (0.73) MEN1TSHRKMT2AMAPTMAPK1
SCHEMBL7082776 0.74 SMN1; SMN2 (0.59) MEN1TSHRKMT2AMAPTMAPK1

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-20030130125-A1 Phenyl-substituted cyclic enaminones FISCHER REINER (DE) 2003-07-10 US disclosed
US-6455472-B1 HERBICIDES, ACARICIDES, NEMATICIDES AND INSECTICIDES FOR CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 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-20030130125-A1 Phenyl-substituted cyclic enaminones DDT, CYP19A1, KCNA1 MEN1 2817/4885TSHR 717/4885KMT2A 506/4885

“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.