SCHEMBL3206100

SCHEMBL3206100

COc1ccc(C(=O)c2nccc(NNC(=O)c3ccc(OC)cc3OCCCNC(=O)c3cccs3)c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 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
SCHEMBL3206753 0.88 NPC1 (0.43) HPGDGAASMN1; SMN2ALOX15MAPK1
SCHEMBL3186988 0.81 MAPT (0.43) HPGDGAASMN1; SMN2POLBALDH1A1
SCHEMBL3195076 0.80 MCHR1 (0.44) HPGDSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8267967 0.79 NPC1 (0.51) HPGDGAASMN1; SMN2TP53MAPK1
SCHEMBL3196073 0.77 TP53 (0.41) HPGDSMN1; SMN2TP53MAPK1POLB
SCHEMBL3187488 0.77 ALDH1A1 (0.44) HPGDGAASMN1; SMN2TP53MAPK1
SCHEMBL5573477 0.75 SMN1; SMN2 (0.38) HPGDGAASMN1; SMN2TP53MAPK1
SCHEMBL3161171 0.75 SMN1; SMN2 (0.51) HPGDGAASMN1; SMN2TP53POLB
SCHEMBL5572721 0.75 HPGD (0.43) HPGDGAASMN1; SMN2TP53ALOX15
SCHEMBL3198876 0.73 MAPT (0.46) HPGDSMN1; SMN2TP53POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP disclosed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 HPGD 225/4885GAA 1186/4885SMN1; SMN2 3805/4885

“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.