SCHEMBL7493045

SCHEMBL7493045

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 0.57
GSK3B P49841 15/20 0.57
CCNB2 O95067 14/20 0.57
CCNB1 P14635 14/20 0.57
CCNB3 Q8WWL7 14/20 0.57
CDK5 Q00535 8/20 0.55
CDK5R1 Q15078 8/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
NPC1 O15118 1/20 0.55
PDPK1 O15530 1/20 0.55
CCNT1 O60563 1/20 0.55
CCNT2 O60583 1/20 0.55
ROCK2 O75116 1/20 0.55
GMNN O75496 1/20 0.55
CHEK2 O96017 1/20 0.55

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) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL7500769 0.85 GSK3B (0.46) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL7492409 0.85 GSK3B (0.55) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL7498410 0.83 CDK1 (0.56) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL7503733 0.81 CA1 (0.46) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL7493665 0.80 CA1 (0.50) CDK1GSK3BCCNB2CCNB1CCNB3
Water SCHEMBL7500648 0.80 CA1 (0.46) CDK1GSK3BCCNB2CCNB1CCNB3
Water SCHEMBL7500646 0.80 CA1 (0.46) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL7504955 0.79 MPL (0.42) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL7497810 0.77 GSK3B (0.44) CDK1GSK3BCCNB2CCNB1CCNB3

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-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 CDK1 2146/4885GSK3B 2791/4885CCNB2 3428/4885

“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.