SCHEMBL10169464

SCHEMBL10169464

COc1cc(C(C)C)ccc1OCCN1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
HTT P42858 1/20 0.73
ALDH1A1 P00352 2/20 0.62
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LTA4H P09960 1/20 0.60
MCHR1 Q99705 5/20 0.54
POLB P06746 1/20 0.54
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 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
SCHEMBL12781826 0.92 ALDH1A1 (0.67) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL10223352 0.88 SMN1; SMN2 (0.57) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL12781820 0.86 ALDH1A1 (0.67) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL19731505 0.85 HTT (0.60) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL9627983 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL12704026 0.83 SMN1; SMN2 (0.69) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL13239766 0.83 SMN1; SMN2 (0.69) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL10546975 0.83 SMN1; SMN2 (0.97) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL20374404 0.83 SMN1; SMN2 (0.73) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1
SCHEMBL27317490 0.83 SMN1; SMN2 (0.57) SMN1; SMN2HTTALDH1A1LMNAL3MBTL1

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-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT SMN1; SMN2 2328/4885HTT 3854/4885ALDH1A1 2193/4885

“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.