SCHEMBL17458955

SCHEMBL17458955

COc1ccc(Cn2ncc([N+](=O)[O-])c2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.51
NPBWR1 P48145 8/20 0.50
NPC1 O15118 2/20 0.49
MCHR1 Q99705 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TXNRD1 Q16881 1/20 0.45
UCHL1 P09936 1/20 0.45
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL19170428 0.89 NPBWR1 (0.52) NPBWR1NPC1MCHR1RAB9AMAPT
SCHEMBL14801244 0.86 NPBWR1 (0.53) DCTPP1NPBWR1NPC1MCHR1RAB9A
SCHEMBL19170435 0.86 NPBWR1 (0.50) NPBWR1MCHR1MAPTUCHL1GSK3A
SCHEMBL17458875 0.86 ALDH1A1 (0.49) NPBWR1NPC1MCHR1MAPTSMN1; SMN2
SCHEMBL17458926 0.83 SOS1 (0.49) RAB9ASMN1; SMN2TXNRD1
SCHEMBL4100810 0.82 UCHL1 (0.49) DCTPP1NPBWR1NPC1MCHR1RAB9A
SCHEMBL17470460 0.82 POLB (0.41) MAPTSMN1; SMN2
SCHEMBL17458969 0.80 DCTPP1 (0.44) DCTPP1MAPT
SCHEMBL21523758 0.80 HTT (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL3287293 0.80 DCTPP1 (0.58) DCTPP1NPBWR1NPC1MCHR1RAB9A

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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-3172192-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
EP-3172194-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 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 (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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 DCTPP1 806/4885NPBWR1 4265/4885NPC1 58/4885
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 DCTPP1 747/4885NPBWR1 4025/4885NPC1 71/4885

“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.