SCHEMBL12172963

SCHEMBL12172963

CCN(c1ccccc1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)c(O)c23)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.58
▸ CYP1A2 P05177 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ ENPP2 Q13822 6/20 0.41
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ PRMT1 Q99873 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CARM1 Q86X55 1/20 0.33

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
SCHEMBL14022709 1.00 FUT8 (0.58) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12974316 0.93 FUT8 (0.57) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12646578 0.93 FUT8 (0.57) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14001593 0.91 FUT8 (0.47) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL8628445 0.90 FUT8 (0.71) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL8628450 0.90 FUT8 (0.71) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12173221 0.90 FUT8 (0.47) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL881777 0.89 FUT8 (0.52) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL20008109 0.89 FUT8 (0.52) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL15036163 0.88 FUT8 (0.55) FUT8CYP1A2MAPK1CYP2C9DNASE1L3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — US disclosed
WO-2010149505-A2 CHARGED PARTICLES BASF SE (DE) 2010-12-29 — — WO disclosed
US-7543926-B2 Process for printing textile fibre materials in accordance with the ink-jet printing process HUNTSMAN INTERNATIONAL LLC (US) 2009-06-09 — — US disclosed
US-20070226919-A1 Method for Dyeing or Printing Textile Materials HUNTSMAN INTERNATIONAL LLC (US) 2007-10-04 — — 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-20120229884-A1 CHARGED PARTICLES POLE3, POLD3, IPO4 FUT8 769/4885CYP1A2 4304/4885MAPK1 4507/4885

“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.

Send feedback