SCHEMBL8048648

SCHEMBL8048648

CSc1nnc(Sc2ncc([N+](=O)[O-])s2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.69
MAPK9 P45984 9/20 0.69
MAPK10 P53779 2/20 0.69
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TLR9 Q9NR96 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 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL11430427 0.92 MAPK8 (0.79) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL12039472 0.85 MAPK8 (0.50) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL6746930 0.85 MAPK8 (0.69) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8037040 0.84 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL18121441 0.83 MAPK8 (0.58) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8044196 0.82 MAPK8 (1.00) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8033463 0.81 MAPK8 (0.64) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8046186 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL4786924 0.81 MAPK8 (0.64) MAPK8MAPK9MAPK10NPC1RAB9A
Ethyl Chloride SCHEMBL8050699 0.80 MAPK8 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289224-A1 Antifungal Treatment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-06 US disclosed
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 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-20160289224-A1 Antifungal Treatment ERG28, CYP51A1, ATG13 MAPK8 2506/4885MAPK9 1704/4885MAPK10 2751/4885

“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.