SCHEMBL5041611

SCHEMBL5041611

CCOC(C(=O)NCc1ccc(C#N)cc1Oc1ccc([N+](=O)[O-])cn1)c1ccc(OC)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 4/20 0.38
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RGS12 O14924 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HSPB1 P04792 2/20 0.37
GAA P10253 1/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5041615 1.00 MAPT (0.41) MAPTALDH1A1L3MBTL1KDM4ELMNA
Hydrochloric Acid SCHEMBL5047445 0.86 F10 (0.48) MAPTALDH1A1L3MBTL1KDM4ELMNA
Hydrochloric Acid SCHEMBL5047456 0.86 F10 (0.48) MAPTALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL5037337 0.84 MAPK8 (0.40) MAPTALDH1A1GAAMAPK8MAPK9
SCHEMBL5037335 0.84 MAPK8 (0.40) MAPTALDH1A1GAAMAPK8MAPK9
SCHEMBL5045413 0.83 SMN1; SMN2 (0.38) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5040698 0.83 HTR2A (0.38) GAAMAPK8MAPK9MAPK10HPGD
SCHEMBL5040702 0.83 HTR2A (0.38) GAAMAPK8MAPK9MAPK10HPGD
SCHEMBL5037691 0.80 F10 (0.39) ALDH1A1L3MBTL1KMT2AMEN1MAPK8
SCHEMBL5040465 0.80 DGAT2 (0.38) MAPK8MAPK9MAPK10POLBDGAT2

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 MAPT 4423/4885ALDH1A1 519/4885L3MBTL1 1475/4885

“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.