SCHEMBL101509

SCHEMBL101509

CCCCCN1/C(=C/C=C/C2=[N+](CCCS(=O)(=O)O)c3ccc(-c4cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c4)cc3C2(C)C)C(C)(C)c2cc(-c3cc(C(=O)NCC)nc(C(=O)NCC)c3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
PRMT1 Q99873 6/20 0.46
PRMT5 O14744 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
ADORA1 P30542 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
HRH2 P25021 2/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CNR1 P21554 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL101726 0.97 PTPN1 (0.52) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL16784869 0.91 PTPN1 (0.55) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL15500229 0.89 PTPN1 (0.51) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL17299119 0.89 PTPN1 (0.44) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL16252400 0.89 PTPN1 (0.52) PTPN1PRMT1HRH3ADORA1CHRM1
SCHEMBL16252076 0.87 PTPN1 (0.48) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL17299120 0.87 PTPN1 (0.41) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL19975737 0.86 PTPN1 (0.41) PTPN1HRH3ADORA1CHRM1CHRM3
SCHEMBL18876751 0.84 CHRM1 (0.48) PTPN1PRMT1PRMT5PRMT8HRH3
SCHEMBL19975738 0.83 HRH2 (0.43) PTPN1HRH3ADORA1CHRM1CHRM3

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-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 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-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR PTPN1 2518/4885PRMT1 1260/4885PRMT5 470/4885

“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.