SCHEMBL13657276

SCHEMBL13657276

CCC(C)(C)c1ccc(NC(=O)OCc2ccccn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
LMNA P02545 3/20 0.68
MAPT P10636 1/20 0.56
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2054620 0.89 NPC1 (0.73) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL2056380 0.83 RAB9A (0.75) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL8202633 0.82 NPC1 (0.79) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL8211405 0.82 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL13657277 0.78 NAMPT (0.60) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL11396210 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL19522370 0.77 NPC1 (0.58) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL10290171 0.75 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL11266548 0.74 MAPT (0.56) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL20914376 0.74 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNAMAPT

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 RAB9A 1183/4885NPC1 2917/4885SMN1; SMN2 4299/4885

“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.