SCHEMBL4753255

SCHEMBL4753255

CN(C(=O)OC(C)(C)C)C1=C(/C=C/C2=[N+](CCCCSOOO)c3ccccc3C2(C)C)CCC/C1=C\C=C1\N(CCCCS(=O)(=O)O)c2ccccc2C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
FOLR1 P15328 6/20 0.46
PTPN1 P18031 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
PRMT1 Q99873 1/20 0.38
FOLH1 Q04609 1/20 0.37
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
HRH2 P25021 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
DRD2 P14416 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
SCHEMBL276744 0.97 HTR1A (0.46) HTR1AFOLR1PTPN1MMP2MMP9
SCHEMBL4753430 0.92 HTR1A (0.46) HTR1AFOLR1PTPN1MMP2MMP9
SCHEMBL13100870 0.91 HTR1A (0.48) HTR1AFOLR1PTPN1MMP2MMP9
SCHEMBL4753277 0.91 HTR1A (0.45) HTR1AFOLR1PTPN1MMP2MMP9
SCHEMBL4753486 0.91 HTR1A (0.41) HTR1AFOLR1PTPN1PRMT1FOLH1
SCHEMBL4753273 0.90 HTR1A (0.45) HTR1AFOLR1PTPN1MMP2MMP9
SCHEMBL4753262 0.89 HTR1A (0.44) HTR1AFOLR1PTPN1MMP2MMP9
SCHEMBL4753316 0.89 HTR1A (0.45) HTR1AFOLR1PTPN1MMP2MMP9
SCHEMBL13100866 0.89 HTR1A (0.47) HTR1AFOLR1PTPN1MMP2MMP9
SCHEMBL13531857 0.89 HTR1A (0.47) HTR1AFOLR1PTPN1MMP2MMP9

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-8178282-B2 Heat-sensitive imaging element AGFA GRAPHICS NV (BE) 2012-05-15 US disclosed
US-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT AGFA GRAPHICS NV (BE) 2010-02-18 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-20100040976-A1 HEAT-SENSITIVE IMAGING ELEMENT HEATR1, HEATR6, HSPA8 HTR1A 1158/4885FOLR1 4305/4885PTPN1 4269/4885

“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.