SCHEMBL13657277

SCHEMBL13657277

CCC(C)(C)c1ccc(NC(=O)OCc2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
POLB P06746 2/20 0.51
CHRNA7 P36544 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 2/20 0.47
FAAH O00519 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
CYP3A4 P08684 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL2054611 0.89 NAMPT (0.64) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11561275 0.84 NAMPT (0.64) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2056379 0.84 NAMPT (0.67) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8211195 0.83 NAMPT (0.68) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5286555 0.83 NAMPT (0.68) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11563747 0.81 NAMPT (0.77) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4822201 0.81 NAMPT (0.65) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11814496 0.80 NAMPT (0.68) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11556886 0.80 NAMPT (0.75) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11818293 0.80 KMT2A (0.65) NAMPTKMT2AMEN1ALDH1A1LMNA

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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 NAMPT 3837/4885KMT2A 2659/4885MEN1 1635/4885

“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.