SCHEMBL4753370

SCHEMBL4753370

CCCCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCCSOOO)c4ccccc4C3(C)C)=C2N(C)S(=O)(=O)C(F)(F)F)C(C)(C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
PRMT1 Q99873 3/20 0.40
FOLR1 P15328 6/20 0.38
CHRM2 P08172 4/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
TLR2 O60603 1/20 0.36
PRMT5 O14744 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
HRH2 P25021 2/20 0.36
PTPN1 P18031 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
S1PR2 O95136 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
SCHEMBL4753231 0.94 HTR1A (0.44) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL4753483 0.94 HTR1A (0.41) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL4753382 0.94 HTR1A (0.41) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL4753489 0.93 HTR1A (0.41) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL4753456 0.93 HTR1A (0.41) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL4753488 0.91 PRMT1 (0.40) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL13100833 0.90 HTR1A (0.42) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL4753389 0.89 HTR1A (0.44) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL4753486 0.87 HTR1A (0.41) HTR1APRMT1FOLR1CHRM2CHRM4
SCHEMBL13100832 0.87 PRMT1 (0.42) HTR1APRMT1FOLR1CHRM2CHRM4

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-8313885-B2 Lithographic printing plate precursor comprising bi-functional compounds AGFA GRAPHICS NV (BE) 2012-11-20 US disclosed
US-8178282-B2 Heat-sensitive imaging element AGFA GRAPHICS NV (BE) 2012-05-15 US disclosed
US-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES AGFA GRAPHICS NV (BE) 2010-10-28 US disclosed
US-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT AGFA GRAPHICS NV (BE) 2010-02-18 US disclosed
US-20070105041-A1 Lithographic printing plate comprising bi-functional compounds AGFA-GEVAERT (BE) 2007-05-10 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 (2 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-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT HEATR1, HEATR6, HSPA8 HTR1A 1158/4885PRMT1 4821/4885FOLR1 4305/4885
US-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES MB, MYADM, PYCR1 HTR1A 3200/4885PRMT1 418/4885FOLR1 1612/4885

“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.