SCHEMBL3288604

SCHEMBL3288604

O=C(O)c1ccc2c(c1)CN(C(=O)C=Cc1c[nH]c3ccccc13)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
HPGD P15428 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL3095935 0.80 MAPT (0.54) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL3095929 0.80 MAPT (0.54) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL12334170 0.74 KMT2A (0.57) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL12684545 0.72 HDAC6 (0.59) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL3284716 0.71 MAPT (0.54) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL12486741 0.71 GABRA1 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12684644 0.71 GABRA1 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12486744 0.71 GABRA1 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL28052395 0.70 MYC (0.56) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL531504 0.69 MEN1 (0.77) MAPTMEN1KMT2AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 MAPT 87/4885MEN1 3812/4885KMT2A 66/4885

“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.