SCHEMBL6475603

SCHEMBL6475603

COc1c(C(=O)O)cc([N+](=O)[O-])c(N)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
PKM P14618 2/20 0.48
TPMT P51580 1/20 0.48
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
G6PD P11413 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
IMPDH2 P12268 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1B10 O60218 1/20 0.40

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
SCHEMBL3471542 0.80 TSHR (0.53) TSHRPKMTPMTHSD17B10MEN1
SCHEMBL22835448 0.80 TPMT (0.55) TSHRPKMTPMTHSD17B10MEN1
SCHEMBL441532 0.80 TSHR (0.47) TSHRPKMTPMTHSD17B10MEN1
SCHEMBL6823020 0.80 TPMT (0.58) TSHRPKMTPMTHSD17B10MEN1
SCHEMBL31336087 0.78 HSD17B10 (0.56) TSHRTPMTHSD17B10MEN1KMT2A
SCHEMBL1975251 0.78 LMNA (0.45) TSHRPKMTPMTMEN1KMT2A
SCHEMBL6474002 0.78 HSD17B10 (0.46) PKMTPMTHSD17B10MEN1KMT2A
SCHEMBL31447572 0.78 TPMT (0.52) TSHRPKMTPMTMEN1KMT2A
SCHEMBL20741517 0.77 TSHR (0.61) TSHRPKMTPMTMEN1KMT2A
SCHEMBL17525992 0.77 MAPT (0.45) TSHRPKMTPMTMEN1KMT2A

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-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 TSHR 3552/4885PKM 2131/4885TPMT 2613/4885

“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.