SCHEMBL14828702

SCHEMBL14828702

CC(=O)C(O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
TBXAS1 P24557 3/20 0.47
CYP17A1 P05093 1/20 0.45
TSHR P16473 1/20 0.45
PDE4D Q08499 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43

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
SCHEMBL28049857 1.00 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1POLBGAA
SCHEMBL2684159 0.82 SMN1; SMN2 (0.60) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL197024 0.82 SMN1; SMN2 (0.60) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL14284025 0.82 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1POLBGAA
SCHEMBL10170624 0.82 SMN1; SMN2 (0.60) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL31404936 0.82 SMN1; SMN2 (0.60) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL3135737 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL14761801 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1POLBGAA
SCHEMBL22899009 0.81 CYP19A1 (0.51) SMN1; SMN2LMNAL3MBTL1POLBGAA
SCHEMBL19319049 0.81 TBXAS1 (0.50) SMN1; SMN2LMNAL3MBTL1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105154463-A Construction and application of strains of over-expression Tm-AHAS-CSU UNIV NORTHWESTERN 2015-12-16 CN disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SMN1; SMN2 4709/4885LMNA 4285/4885L3MBTL1 2276/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SMN1; SMN2 4709/4885LMNA 4285/4885L3MBTL1 2276/4885

“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.