SCHEMBL20520189

SCHEMBL20520189

O=C(N/N=C1\CCc2ccccc21)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 14/20 0.80
MAPT P10636 14/20 0.80
RAB9A P51151 11/20 0.80
NPC1 O15118 8/20 0.80
ALDH1A1 P00352 5/20 0.80
KMT2A Q03164 3/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
GAA P10253 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
KDM4E B2RXH2 2/20 0.68
TP53 P04637 1/20 0.68
HTT P42858 2/20 0.65
POLB P06746 2/20 0.60
MEN1 O00255 2/20 0.60
RECQL P46063 1/20 0.60
APAF1 O14727 1/20 0.55
NSD2 O96028 1/20 0.55
CASP6 P55212 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL4734168 1.00 SMN1; SMN2 (0.80) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL4734171 1.00 SMN1; SMN2 (0.80) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL7449894 0.92 SMN1; SMN2 (0.74) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL17206744 0.92 SMN1; SMN2 (0.74) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL14938579 0.86 SMN1; SMN2 (0.69) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL4554993 0.86 SMN1; SMN2 (0.69) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL4554299 0.81 SMN1; SMN2 (0.67) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL17206746 0.81 SMN1; SMN2 (0.87) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL665621 0.80 KDM1A (0.62) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL665622 0.80 KDM1A (0.62) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1

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-20180284095-A1 BIOMARKERS ASSOCIATED WITH LSD1 INHIBITORS AND USES THEREOF ORYZON GENOMICS SA (ES) 2018-10-04 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-20180284095-A1 BIOMARKERS ASSOCIATED WITH LSD1 INHIBITORS AND USES THEREOF KDM1B, EZH2, DOT1L SMN1; SMN2 1946/4885MAPT 2058/4885RAB9A 3157/4885

“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.