SCHEMBL7498157

SCHEMBL7498157

COc1cc2oc3c4cccc(C(=O)O)c4[nH]c3c2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR35 Q9HC97 4/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7500797 0.87 KCNMA1 (0.43) CA12CA1CA2CA3CA4
SCHEMBL2929416 0.81 CA12 (0.53) CA12CA1CA2CA3CA4
SCHEMBL2924509 0.79 GPR35 (0.44) CA12CA2CA9KDM4EALDH1A1
SCHEMBL7503751 0.76 CA12 (0.42) CA12CA1CA2CA3CA4
SCHEMBL2924487 0.75 KDM4E (0.52) CA12CA1CA2CA3CA4
SCHEMBL11741686 0.75 KDM4E (0.63) CA12CA1CA2CA7CA9
SCHEMBL2926491 0.74 KCNMA1 (0.50) KDM4EALDH1A1HSD17B10GPR35MAPT
SCHEMBL7500571 0.74 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10GPR35
SCHEMBL7502740 0.74 PTPRF (0.44) KDM4EALDH1A1HPGDHSD17B10GPR35
SCHEMBL7499641 0.73 TSHR (0.47) CA12CA9KDM4EALDH1A1HPGD

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 5 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 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 CA12 4849/4885CA1 4382/4885CA2 793/4885

“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.