SCHEMBL2085459

SCHEMBL2085459

N#Cc1scc2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 3/20 0.38
HPGD P15428 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
XDH P47989 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL2284314 0.80 BAZ2B (0.41) BAZ2BTSHRHTTHPGDNCOA1
SCHEMBL2284309 0.80 BAZ2B (0.41) BAZ2BTSHRHTTHPGDNCOA1
SCHEMBL182767 0.72 HTT (0.39) BAZ2BTSHRHTTHPGDNCOA1
SCHEMBL880222 0.72 BAZ2B (0.47) BAZ2BTSHRHTTHPGDNCOA1
SCHEMBL182772 0.70 NPC1 (0.36) BAZ2BTSHRHPGDNPSR1ALDH1A1
SCHEMBL24762447 0.68 BAZ2B (0.44) BAZ2BTSHRHTTHPGDNCOA1
SCHEMBL12414587 0.68 BAZ2B (0.44) BAZ2BTSHRHTTHPGDNCOA1
SCHEMBL433905 0.68 BAZ2B (0.49) BAZ2BTSHRHTTHPGDNCOA1
SCHEMBL15668445 0.68 BAZ2B (0.44) BAZ2BTSHRHTTHPGDNCOA1
SCHEMBL3715486 0.68 BAZ2B (0.44) BAZ2BTSHRHTTHPGDNCOA1

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
EP-1611207-B1 FLUORESCENT DIKETOPYRROLOPYRROLES BASF SE (DE) 2016-02-03 EP disclosed
US-7906039-B2 Fluorescent diketopyrrolopyrroles BASF SE (DE) 2011-03-15 US disclosed
US-20090173916-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2009-07-09 US disclosed
US-7501076-B2 Fluorescent diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-03-10 US disclosed
US-20070010672-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2007-01-11 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 (2 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-20070010672-A1 Fluorescent diketopyrrolopyrroles TYR, QDPR, MC1R BAZ2B 3825/4885TSHR 1039/4885HTT 1906/4885
US-20090173916-A1 Fluorescent diketopyrrolopyrroles TYR, IK, MC1R BAZ2B 3949/4885TSHR 1121/4885HTT 2110/4885

“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.