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SCHEMBL844361

SCHEMBL844361

O=C1NC(c2ccc(OCCO)cc2)C(=O)N1[C@@H](Cc1ccccc1)c1nc2cc(I)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 2/20 0.41
▸ TPH1 P17752 1/20 0.33
▸ TPH2 Q8IWU9 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDE3B Q13370 6/20 0.32
▸ PDE3A Q14432 6/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GPR174 Q9BXC1 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL844360 1.00 MAP2K1 (0.41) MAP2K1TPH1TPH2ESR1ESR2
SCHEMBL844406 0.94 MAP2K1 (0.41) MAP2K1TPH1TPH2ESR1ESR2
SCHEMBL844101 0.94 MAP2K1 (0.41) MAP2K1TPH1TPH2ESR1ESR2
SCHEMBL29055707 0.94 MAP2K1 (0.41) MAP2K1TPH1TPH2ESR1ESR2
SCHEMBL844826 0.92 MAP2K1 (0.37) MAP2K1ESR1ESR2PDE3BPDE3A
SCHEMBL845085 0.92 MAP2K1 (0.38) MAP2K1S1PR1S1PR3PDE3BPDE3A
SCHEMBL859794 0.92 MAP2K1 (0.37) MAP2K1ESR1ESR2PDE3BPDE3A
SCHEMBL10076397 0.92 MAP2K1 (0.38) MAP2K1S1PR1S1PR3PDE3BPDE3A
SCHEMBL843993 0.92 MAP2K1 (0.37) MAP2K1ESR1ESR2PDE3BPDE3A
SCHEMBL10076793 0.92 MAP2K1 (0.37) MAP2K1ESR1ESR2PDE3BPDE3A

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-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 — — US claimed
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 — — EP disclosed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 — — 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-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 MAP2K1 35/4885TPH1 2510/4885TPH2 2357/4885

“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.