SCHEMBL3187488

SCHEMBL3187488

COc1ccc(C(=O)c2nccc(NC(=O)c3ccc(OC)cc3OCCCN)c2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MELK Q14680 1/20 0.44
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
MITF O75030 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL3195076 0.85 MCHR1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL3196073 0.83 TP53 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL5573477 0.83 SMN1; SMN2 (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL3186988 0.82 MAPT (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL3198876 0.81 MAPT (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL5567679 0.81 MAPT (0.49) ALDH1A1KDM4EMELKMAPTSMN1; SMN2
SCHEMBL3199162 0.79 NPC1 (0.42) MELKMAPTSMN1; SMN2LMNANPC1
SCHEMBL3206100 0.77 HPGD (0.45) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL6258754 0.76 MAPT (0.52) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL5567288 0.76 SMN1; SMN2 (0.51) ALDH1A1KDM4EMELKMAPTSMN1; SMN2

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 ALDH1A1 407/4885KDM4E 3940/4885MELK 3446/4885

“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.