SCHEMBL633676

SCHEMBL633676

O=C=Nc1cccc(OC(=O)CCCl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.35
KMT2A Q03164 5/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL10392660 0.84 PRSS1 (0.35) MAPK1TDP1ACHEKMT2ALMNA
SCHEMBL27464310 0.80 MAPK1 (0.41) MAPK1TDP1ACHEKMT2ALMNA
SCHEMBL10393525 0.80 PRSS1 (0.46) MAPK1TDP1ACHEKMT2ALMNA
SCHEMBL28033164 0.77 KMT2A (0.61) MAPK1TDP1KMT2ALMNAMEN1
SCHEMBL4644540 0.75 CYP3A4 (0.56) ACHEKMT2ALMNAMEN1EGFR
SCHEMBL17397776 0.75 LMNA (0.61) MAPK1ACHEKMT2ALMNAMEN1
SCHEMBL633251 0.75 KMT2A (0.37) MAPK1TDP1ACHEKMT2ALMNA
SCHEMBL4644755 0.75 NPC1 (0.51) TDP1ACHEKMT2AMEN1MAPT
SCHEMBL633675 0.74 MAPK1 (0.36) MAPK1TDP1ACHEKMT2ALMNA
SCHEMBL11416323 0.74 ACHE (0.48) MAPK1ACHELMNAMAPTALDH1A1

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
EP-1866357-B1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2012-02-22 EP disclosed
US-8044235-B2 (Meth) acryloyl group-containing aromatic isocyanate compound and production process thereof SHOWA DENKO K.K. (JP) 2011-10-25 US disclosed
US-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof SHOWA DENKO K.K. (JP) 2009-02-26 US disclosed
EP-1866357-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF Showa Denko K.K. (JP) 2007-12-19 EP disclosed
WO-2006103979-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO K.K. (JP) 2006-10-05 WO 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-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof PRMT5, ACR, PRMT1 MAPK1 123/4885TDP1 3531/4885ACHE 2746/4885

“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.