SCHEMBL1311565

SCHEMBL1311565

O=C(O)c1cc2[se]ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 4/20 0.47
DAO P14920 3/20 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 4/20 0.43
CYP2C19 P33261 3/20 0.43
GPR35 Q9HC97 2/20 0.43
NFKB1 P19838 2/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
PIN1 Q13526 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43

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
SCHEMBL1311562 0.79 CYP1A2 (0.49) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL1311394 0.75 KDM4E (0.55) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL1312221 0.69 DAO (0.49) KDM4EHSD17B10HPGDDAOMAPT
SCHEMBL1311275 0.64 DAO (0.47) KDM4EHSD17B10HPGDDAOMAPT
Indole-2-Carboxylic Acid SCHEMBL1935 0.64 KDM4E (1.00) KDM4EHSD17B10HPGDDAOMAPT
Indole-2-Carboxylic Acid SCHEMBL29395165 0.64 KDM4E (1.00) KDM4EHSD17B10HPGDDAOMAPT
SCHEMBL1312983 0.63 GPR35 (0.45) KDM4EHSD17B10HPGDDAOALDH1A1
Indole-2-Carboxylic Acid SCHEMBL9514556 0.63 KDM4E (0.96) KDM4EHSD17B10HPGDDAOMAPT
Indole-2-Carboxylic Acid SCHEMBL11743045 0.63 KDM4E (0.96) KDM4EHSD17B10HPGDDAOMAPT
Indole-2-Carboxylic Acid SCHEMBL3297085 0.63 KDM4E (0.96) KDM4EHSD17B10HPGDDAOMAPT

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 4 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

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 KDM4E 3091/4885HSD17B10 348/4885HPGD 828/4885
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI KDM4E 3091/4885HSD17B10 348/4885HPGD 828/4885

“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.