SCHEMBL3206753

SCHEMBL3206753

COc1ccc(C(=O)c2nccc(NNC(=O)c3ccc(OC)cc3OCCCNC(=O)NCCc3cccs3)c2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
BMP1 P13497 2/20 0.40
BRD4 O60885 1/20 0.40
KMT2A Q03164 5/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 5/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 3/20 0.37
MEN1 O00255 3/20 0.37
PDE10A Q9Y233 1/20 0.37
EGFR P00533 1/20 0.36
ERBB3 P21860 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL3186988 0.93 MAPT (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3206100 0.88 HPGD (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8266780 0.80 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3195076 0.76 MCHR1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5571748 0.75 TSHR (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3187488 0.74 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3196073 0.73 TP53 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5573477 0.72 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3198876 0.71 MAPT (0.46) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL5568182 0.68 TP53 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 NPC1 4370/4885RAB9A 2768/4885SMN1; 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.