SCHEMBL1312221

SCHEMBL1312221

O=C(O)c1cc2cc[se]c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 1/20 0.47
SRD5A2 P31213 1/20 0.47
SMAD3 P84022 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 2/20 0.43
APEX1 P27695 2/20 0.43
TSHR P16473 2/20 0.43
PIN1 Q13526 1/20 0.43
PDPK1 O15530 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR35 Q9HC97 1/20 0.43
KMT2A Q03164 2/20 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
Lithium Ion SCHEMBL1310993 0.81 DAO (0.32) DAOF7F3HPGDHSD17B10
SCHEMBL1311314 0.81 DAO (0.32) DAOF7F3HPGDHSD17B10
SCHEMBL1311565 0.69 KDM4E (0.47) DAOF7F3HPGDHSD17B10
SCHEMBL1313510 0.65 DAO (0.47) DAOF7F3HPGDHSD17B10
SCHEMBL1244615 0.65 DAO (1.00) DAOF7F3HPGDHSD17B10
SCHEMBL671001 0.64 F7 (0.74) DAOF7F3HPGDHSD17B10
5-Chloroindole-2-Carboxylic Acid SCHEMBL720582 0.64 F7 (1.00) DAOF7F3HPGDHSD17B10
SCHEMBL30310328 0.64 F7 (0.74) DAOF7F3HPGDHSD17B10
Indole-2-Carboxylic Acid SCHEMBL1935 0.64 KDM4E (1.00) DAOF7F3HPGDHSD17B10
Indole-2-Carboxylic Acid SCHEMBL29395165 0.64 KDM4E (1.00) DAOF7F3HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2012-06-14 US claimed
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2011-11-10 US claimed
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2012-06-14 US disclosed
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2011-11-10 US disclosed
EP-2297167-A1 SELENOPHENE AND SELENAZOLE CARBOXYLIC ACID DERIVATIVES Ironwood Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009148564-A1 SELENOPHENE AND SELENAZOLE CARBOXYLIC ACID DERIVATIVES IRONWOOD PHARMACEUTICALS INCORPORATED (US) 2009-12-10 WO 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 (2 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-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI DAO 1/4885F7 4216/4885F3 3758/4885
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI DAO 1/4885F7 4216/4885F3 3758/4885

“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.