SCHEMBL7500769

SCHEMBL7500769

O=C(O)c1cccc2c1Cc1c-2[nH]c2ccc(I)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.46
CCNB2 O95067 10/20 0.46
CDK1 P06493 10/20 0.46
CCNB1 P14635 10/20 0.46
CCNB3 Q8WWL7 10/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CDK5 Q00535 8/20 0.44
CDK5R1 Q15078 8/20 0.44
GSK3A P49840 2/20 0.43
MPL P40238 2/20 0.42
HSP90AA1 P07900 1/20 0.40
MDH2 P40926 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 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
SCHEMBL7501195 0.85 HSP90AA1 (0.55) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7492409 0.85 GSK3B (0.55) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7493045 0.85 CDK1 (0.57) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7503733 0.81 CA1 (0.46) GSK3BCCNB2CDK1CCNB1CCNB3
Water SCHEMBL7500648 0.80 CA1 (0.46) GSK3BCCNB2CDK1CCNB1CCNB3
Water SCHEMBL7500646 0.80 CA1 (0.46) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7504955 0.79 MPL (0.42) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL14079332 0.76 PARP1 (0.50) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7493665 0.75 CA1 (0.50) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7498749 0.75 CA1 (0.49) GSK3BCCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1234821-A1 1,3,4-OXADIAZOLINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 EP claimed
US-6391902-B2 TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION SUCH AS INCONTINENCE AND IRRITABLE BOWEL SYNDROME AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US claimed
US-6391902-B2 TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION SUCH AS INCONTINENCE AND IRRITABLE BOWEL SYNDROME AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
US-20010047026-A1 Substituted benzofuranoindoles and indenoindoles as novel potassium channel openers AMERICAN HOME PRODUCTS CORPORATION 2001-11-29 US disclosed
EP-1135393-A2 SUBSTITUTED BENZOFURANOINDOLES AND INDENOINDOLES AS NOVEL POTASSIUM CHANNEL OPENERS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-26 EP disclosed
US-6288099-B1 COMPOUNDS SUCH AS 8-BROMO-10H-BENZO(4,5)FURO(3,2-B)INDOLE-1-CARBOXYLIC ACID USED TO TREAT DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRATION SUCH AS URINARY INCONTINENCE AND IRRITABLE BOWL SYNDROME AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 US disclosed
WO-2000034285-A2 SUBSTITUTED BENZOFURANOINDOLES AND INDENOINDOLES AS NOVEL POTASSIUM CHANNEL OPENERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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 (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-20010047026-A1 Substituted benzofuranoindoles and indenoindoles as novel potassium channel openers KCNJ2, KCNN3, KCNN2 GSK3B 2791/4885CCNB2 3428/4885CDK1 2146/4885

“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.