SCHEMBL9607720

SCHEMBL9607720

CC(C)(C)c1nc(O)c(OCc2ccccc2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
FEN1 P39748 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
LIPE Q05469 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL9607729 0.82 POLB (0.42) LMNAHPGDL3MBTL1FEN1TSHR
SCHEMBL10761675 0.80 RXRA (0.45) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1232135 0.75 LMNA (0.52) LMNAHPGDCYP1A2PTGS1SLC6A2
SCHEMBL13195089 0.72 L3MBTL1 (0.49) LMNAHPGDCYP1A2CYP2C19L3MBTL1
SCHEMBL9607733 0.71 CNR2 (0.43) LMNACYP1A2L3MBTL1TSHRHTT
SCHEMBL19127757 0.71 L3MBTL1 (0.47) LMNAHPGDCYP1A2PTGS1SLC6A2
SCHEMBL1637804 0.71 TDP1 (0.48) LMNAHPGDCYP1A2PTGS1SLC6A2
SCHEMBL25465503 0.71 ALKBH1 (0.43) LMNAL3MBTL1MAPK1HTTALDH1A1
SCHEMBL9607726 0.70 PDE5A (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4148755 0.70 LMNA (0.46) LMNAHPGDCYP2C19RXRARXRB

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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 LMNA 1461/4885HPGD 517/4885CYP1A2 326/4885

“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.