SCHEMBL9945929

SCHEMBL9945929

CB(O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 7/20 0.57
MEN1 O00255 5/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
BRD4 O60885 1/20 0.57
NR1I2 O75469 1/20 0.57
MB P02144 1/20 0.57
CYP1A1 P04798 1/20 0.57
CA3 P07451 1/20 0.57
CYP3A4 P08684 1/20 0.57
RARG P13631 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL9162 0.85 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL861674 0.82 SMN1; SMN2 (0.84) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL9945928 0.77 ALDH1A1 (0.58) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL2615418 0.76 KMT2A (0.81) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL1753885 0.76 KMT2A (0.81) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL3818831 0.75 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL11158565 0.75 MAPT (0.83) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL9946011 0.74 CYP17A1 (0.49) SMN1; SMN2CA12CA1CA9NAMPT
SCHEMBL15481258 0.74 DEGS1 (0.57) SMN1; SMN2KMT2AMEN1TDP1RAB9A
Acetaminophen SCHEMBL5211993 0.74 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1HTTKMT2AMEN1

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 SMN1; SMN2 3273/4885L3MBTL1 4393/4885HTT 808/4885

“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.