SCHEMBL3205891

SCHEMBL3205891

COc1ccc(C(=O)Nc2c(N)cccc2C(=O)c2ccc(OCc3ccccc3)cc2OCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.49
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTNR1B P49286 1/20 0.41
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
SPHK2 Q9NRA0 2/20 0.39
MET P08581 1/20 0.39
PPARD Q03181 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SENP5 Q96HI0 1/20 0.38
SENP2 Q9HC62 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL3203393 0.92 HDAC1 (0.43) HDAC1ALDH1A1CYP2C9HDAC3HDAC2
SCHEMBL3185935 0.91 HDAC1 (0.41) HDAC1KDM4EALDH1A1CYP1A2HDAC3
SCHEMBL3196197 0.91 HDAC1 (0.44) HDAC1HDAC3HDAC2NPC1RAB9A
SCHEMBL3186844 0.90 CA12 (0.42) HDAC1ALDH1A1CYP2C9CYP2C19HDAC3
SCHEMBL3195162 0.90 HDAC1 (0.43) HDAC1ALDH1A1CYP2C9HDAC3HDAC2
SCHEMBL3196531 0.89 HDAC1 (0.41) HDAC1HDAC3HDAC2PPARDNPC1
SCHEMBL7251634 0.84 KDM4E (0.54) HDAC1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3186939 0.81 HDAC1 (0.42) HDAC1KDM4EALDH1A1CYP2C9HDAC3
SCHEMBL5223214 0.79 HDAC1 (0.46) HDAC1ALDH1A1CYP2C9HDAC3HDAC2
SCHEMBL3196180 0.78 PDK2 (0.47) KDM4EMTNR1BNPC1RAB9ABCHE

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 HDAC1 839/4885KDM4E 3940/4885ALDH1A1 407/4885

“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.