SCHEMBL10098902

SCHEMBL10098902

O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@H](O)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
HPGD P15428 2/20 0.61
MAPK1 P28482 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
GRM5 P41594 1/20 0.58
ALDH1A1 P00352 1/20 0.58
FASN P49327 1/20 0.57
MGLL Q99685 2/20 0.57
HSD11B1 P28845 1/20 0.57
POLB P06746 3/20 0.56
HDAC4 P56524 1/20 0.55
SLC6A7 Q99884 1/20 0.55
LMNA P02545 2/20 0.54
ATR Q13535 1/20 0.54
HTR1A P08908 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL8163272 0.91 HPGD (0.67) SMN1; SMN2HPGDMAPK1MEN1KMT2A
SCHEMBL8159195 0.90 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMAPK1MEN1KMT2A
SCHEMBL5871923 0.90 ACHE (0.62) SMN1; SMN2HPGDKMT2AGRM5MGLL
SCHEMBL12442621 0.90 ACHE (0.62) SMN1; SMN2HPGDKMT2AGRM5MGLL
SCHEMBL2720515 0.90 ACHE (0.62) SMN1; SMN2HPGDKMT2AGRM5MGLL
SCHEMBL8158994 0.87 HPGD (0.64) SMN1; SMN2HPGDMAPK1MEN1KMT2A
SCHEMBL16934629 0.86 L3MBTL3 (0.55) SMN1; SMN2HPGDKMT2AGRM5MGLL
SCHEMBL15571566 0.86 L3MBTL3 (0.55) SMN1; SMN2HPGDKMT2AGRM5MGLL
SCHEMBL20913217 0.84 L3MBTL3 (0.50) SMN1; SMN2HPGDMAPK1MEN1KMT2A
SCHEMBL20913214 0.84 L3MBTL3 (0.50) SMN1; SMN2HPGDMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093245-B2 Anticancer agents; potent Deoxycytidine kinase inhibitors; inhibit thymidine kinase; inhibit uridine kinase; N-[3-(4-amino-5-fluoro-2-oxo-2H-pyrimidin-1-yl)-cyclopentyl]-3-bromo-benzenesulfonamide LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8093245-B2 Anticancer agents; potent Deoxycytidine kinase inhibitors; inhibit thymidine kinase; inhibit uridine kinase; N-[3-(4-amino-5-fluoro-2-oxo-2H-pyrimidin-1-yl)-cyclopentyl]-3-bromo-benzenesulfonamide LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20080182847-A1 4-AMINO-1H-PYRIMIDIN-2-ONE BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-07-31 US disclosed
US-20080182847-A1 4-AMINO-1H-PYRIMIDIN-2-ONE BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-07-31 US disclosed
WO-2008076778-A1 4-AMINO-1H-PYRIMIDIN-2-ONE BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-06-26 WO 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-20080182847-A1 4-AMINO-1H-PYRIMIDIN-2-ONE BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE TPMT, DHFR, GLS2 SMN1; SMN2 576/4885HPGD 443/4885MAPK1 3982/4885

“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.