SCHEMBL7086417

SCHEMBL7086417

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
MEN1 O00255 3/20 0.74
TSHR P16473 3/20 0.74
KMT2A Q03164 3/20 0.74
MAPK1 P28482 2/20 0.74
NPC1 O15118 4/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HPGD P15428 1/20 0.67
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
ALDH1A1 P00352 3/20 0.36
CASP1 P29466 1/20 0.36
LMNA P02545 2/20 0.35
ALOX12 P18054 1/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL6172072 1.00 MAPT (0.74) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL7082654 0.92 NPC1 (0.68) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL6168784 0.92 NPC1 (0.68) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL6172393 0.82 MEN1 (0.69) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL7086102 0.82 MEN1 (0.69) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL6169261 0.82 NPC1 (0.73) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL7079886 0.82 NPC1 (0.73) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL5368772 0.80 MAPT (0.48) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL14559443 0.80 MAPT (0.48) MAPTMEN1TSHRKMT2AMAPK1
SCHEMBL5368776 0.80 MAPT (0.48) MAPTMEN1TSHRKMT2AMAPK1

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 MAPT 4132/4885MEN1 2817/4885TSHR 717/4885

“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.