SCHEMBL6856927

SCHEMBL6856927

Cc1ncc(Sc2ncc([N+](=O)[O-])s2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.54
MAPK9 P45984 9/20 0.54
MAPK10 P53779 2/20 0.54
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
ALDH1A1 P00352 4/20 0.52
TLR9 Q9NR96 3/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
AGTR1 P30556 2/20 0.52
S1PR4 O95977 2/20 0.52
S1PR1 P21453 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
HSP90AA1 P07900 1/20 0.52
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 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
SCHEMBL18121441 0.80 MAPK8 (0.58) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8266427 0.80
SCHEMBL6746930 0.79 MAPK8 (0.69) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL11430427 0.76 MAPK8 (0.79) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8045224 0.75 MAPK8 (0.50) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8715968 0.75 MAPK8 (0.47) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL7808986 0.73 MAPK8 (0.61) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL11523235 0.73 MAPT (0.60) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8048648 0.73 MAPK8 (0.69) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL12039469 0.73 MAPK8 (0.60) MAPK8MAPK9MAPK10NPC1RAB9A

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-6696482-B2 QUINAZOLINE, NITROTHIAZOLE AND INDOLINONE BASED HYDROPHOBIC FORMULATIONS FOR ORAL ADMINISTRATION FOR TREATING CELL PROLIFERATION DISORDER IN A MAMMAL SUGEN, INC. 2004-02-24 US disclosed
US-20010012844-A1 Formulations for hydrophobic pharmaceutical agents SHENOY NARMADA (US) 2001-08-09 US disclosed
US-6248771-B1 MIXTURE CONTAINING SURFACTANT; ANTIPROLIFERATIVE AGENTS; KINASE INHIBITOR SUGEN, INC. 2001-06-19 US disclosed
EP-1014953-A2 FORMULATIONS FOR HYDROPHOBIC PHARMACEUTICAL AGENTS Sugen, Inc. (US) 2000-07-05 EP disclosed
WO-1998038984-A2 FORMULATIONS FOR HYDROPHOBIC PHARMACEUTICAL AGENTS SUGEN, INC. (US) 1998-09-11 WO 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-20010012844-A1 Formulations for hydrophobic pharmaceutical agents ABCG2, SLC7A5, SLCO4C1 MAPK8 3996/4885MAPK9 4337/4885MAPK10 4055/4885

“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.