SCHEMBL10000476

SCHEMBL10000476

NCCCP(=O)(O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 5/20 0.65
GRM4 Q14833 5/20 0.65
GRM6 O15303 4/20 0.65
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.47
PTPRC P08575 1/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACP3 P15309 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL13187517 0.80 GRM8 (0.57) GRM8GRM4GRM6TSHRPTPRC
SCHEMBL2637757 0.79 TSHR (0.59) GRM8GRM4GRM6TSHRPTPRC
SCHEMBL2637758 0.79 TSHR (0.59) GRM8GRM4GRM6TSHRPTPRC
SCHEMBL10000471 0.79 GRM4 (1.00) GRM8GRM4GRM6
SCHEMBL6998770 0.76 TSHR (0.59) TSHRLMNAALDH1A1
SCHEMBL2952612 0.76 POLB (0.70) TSHRPOLBLMNA
Hydrochloric Acid SCHEMBL9336447 0.75 POLB (0.73) TSHRPOLBLMNA
SCHEMBL10000477 0.74 GRM8 (0.69) GRM8GRM4GRM6TSHRLMNA
SCHEMBL2036257 0.73 TSHR (0.59) GRM8GRM4GRM6TSHRPOLB
SCHEMBL6545015 0.73 TSHR (0.62) TSHRLMNAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-01-19 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-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES PTH1R, P4HA1, FGF23 GRM8 4160/4885GRM4 3644/4885GRM6 2596/4885

“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.