SCHEMBL3387879

SCHEMBL3387879

O=C(O)/C(=C/c1cccs1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
THRB P10828 1/20 0.47
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
GCK P35557 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
SRD5A2 P31213 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
SCHEMBL3387883 1.00 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2651868 0.82 GCK (0.61) KMT2AL3MBTL1GCKPOLBLMNA
SCHEMBL2651866 0.82 GCK (0.61) KMT2AL3MBTL1GCKPOLBLMNA
SCHEMBL3389087 0.80 MAPT (0.57) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL9071832 0.80 GCK (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3389090 0.80 MAPT (0.57) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL2650639 0.80 GCK (0.73) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2650637 0.80 GCK (0.73) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7813609 0.78 AKR1C1 (0.66) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15777306 0.78 AKR1C1 (0.66) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 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-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 MAPT 1611/4885ALDH1A1 1846/4885SMN1; SMN2 2034/4885

“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.