SCHEMBL14198519

SCHEMBL14198519

CC1(C)C(=CC=CC(=CC=CC2=[N+](CCCS(=O)(=O)O)c3ccc(C(=O)O)cc3C2(C)C)c2ccncc2)N(CCCS(=O)(=O)O)c2ccc(C(=O)O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
PRMT1 Q99873 8/20 0.47
PRMT5 O14744 2/20 0.46
PRMT8 Q9NR22 2/20 0.46
CARM1 Q86X55 1/20 0.46
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADRB1 P08588 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL13109091 0.92 PTPN1 (0.56) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL19063564 0.89 PTPN1 (0.67) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL19063553 0.84 PTPN1 (0.62) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL19052122 0.84 PTPN1 (0.61) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL17853018 0.84 PTPN1 (0.59) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL17853016 0.84 PTPN1 (0.59) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL29331243 0.83 PTPN1 (0.60) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL15095707 0.83 PTPN1 (0.58) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL13476164 0.83 PRMT1 (0.59) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL29330707 0.82 PTPN1 (0.57) PTPN1PRMT1PRMT5PRMT8CARM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081912-A1 Near-infrared absorptive image-forming composition, ink and electrophotographic toner using the same, and inkjet-recording method, electrophotographic-recording method and near-infrared-ray-reading method using those FUJIFILM CORPORATION (JP) 2008-04-03 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-20080081912-A1 Near-infrared absorptive image-forming composition, ink and electrophotographic toner using the same, and inkjet-recording method, electrophotographic-recording method and near-infrared-ray-reading method using those IDO1, IDO2, INMT PTPN1 796/4885PRMT1 80/4885PRMT5 215/4885

“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.