SCHEMBL486872

SCHEMBL486872

COc1cc(C=Cc2ccc3cccc(OCc4ccccc4)c3n2)cc([N+](=O)[O-])c1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.66
▸ KMT2A Q03164 14/20 0.66
▸ MEN1 O00255 13/20 0.66
▸ LMNA P02545 9/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ RAB9A P51151 4/20 0.66
▸ HTT P42858 3/20 0.66
▸ NPSR1 Q6W5P4 3/20 0.61
▸ AGTR1 P30556 2/20 0.61
▸ POLB P06746 2/20 0.55
▸ GAA P10253 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ PIM1 P11309 1/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ RECQL P46063 1/20 0.49

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
SCHEMBL486870 1.00 MAPT (0.66) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL14681380 0.89 KMT2A (0.56) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL12281983 0.83 KMT2A (0.54) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL12280671 0.83 KMT2A (0.64) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL27864630 0.73 KDM4E (0.60) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL28517448 0.73 CTSV (0.52) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL15613229 0.73 KMT2A (0.56) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL21925172 0.72 PIM1 (0.70) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL21925171 0.72 PIM1 (0.70) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL12282407 0.71 AGTR1 (0.60) MAPTKMT2AMEN1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411526-A2 GANGLIOSIDE BIOSYNTHESIS MODULATORS Zacharon Pharmaceuticals, Inc. (US) 2012-02-01 — — EP disclosed
US-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 — — US disclosed
WO-2010111711-A2 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 — — 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-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS UGCG, MAGT1, STT3B MAPT 4120/4885KMT2A 1738/4885MEN1 1262/4885

“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.

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