SCHEMBL61954

SCHEMBL61954

Cc1cc[n+](CCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GLS O94925 1/20 0.50
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RPS6KA2 Q15349 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
Bromide SCHEMBL7049876 0.88 CHRM2 (0.53)
Bromide SCHEMBL22366474 0.85 RPS6KA2 (0.51) GLSCASP3RPS6KA2
Bromide SCHEMBL22366400 0.84 HPGD (0.46) HPGDNPSR1RAB9AKMT2ATDP1
SCHEMBL22366416 0.83 BCHE (0.50)
Bromide SCHEMBL22366451 0.82 GLS (0.44) GLS
Bromide SCHEMBL22366410 0.82 CHKA (0.49) GLS
Bromide SCHEMBL22366418 0.82 MAOB (0.46) GLSCASP3
Bromide SCHEMBL22366456 0.82 BCHE (0.53)
Hydrochloric Acid SCHEMBL22366543 0.82 GLS (0.44) GLSCASP3RPS6KA2L3MBTL1
Hydrochloric Acid SCHEMBL22366426 0.80 RPS6KA2 (0.50) GLSRPS6KA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 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 (3 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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 HPGD 446/4885NPSR1 1644/4885GLS 3476/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 HPGD 446/4885NPSR1 1644/4885GLS 3476/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 HPGD 446/4885NPSR1 1644/4885GLS 3476/4885

“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.