SCHEMBL7534781

SCHEMBL7534781

CCC(C)(C)Nc1c(-c2ccc(OC)cc2)c(=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ HDAC1 Q13547 1/20 0.41
▸ SHMT2 P34897 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ PLK1 P53350 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ME2 P23368 1/20 0.35

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
SCHEMBL7011665 0.82 MEN1 (0.62) KMT2AMEN1POLBHDAC1BACE1
SCHEMBL7010048 0.82 SHMT2 (0.42) KMT2AMEN1POLBSHMT2KDM4E
SCHEMBL7005301 0.79 HDAC1 (0.41) KMT2AMEN1POLBHDAC1PLK1
SCHEMBL7006489 0.74 CYP3A4 (0.37) KMT2AMEN1POLBHDAC1SHMT2
SCHEMBL7014918 0.73 PLK1 (0.50) KMT2AMEN1POLBSHMT2PTGS2
SCHEMBL7004806 0.72 MEN1 (0.73) KMT2AMEN1POLBALDH1A1CTDSP1
SCHEMBL7536943 0.72 HTT (0.35) KMT2AMEN1HDAC1HPGDTSHR
SCHEMBL19324983 0.72 GAA (0.55) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL7534311 0.72 MEN1 (0.59) KMT2AMEN1POLBSHMT2PTGS2
Hydrochloric Acid SCHEMBL7011994 0.70 PLK1 (0.45) KMT2AMEN1PLK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers AMERICAN HOME PRODUCTS CORPORATION (US) 2002-11-28 — — US claimed
US-6376555-B1 MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 — — US claimed
US-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 — — US disclosed
US-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 — — US disclosed
WO-2016128772-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 — — WO disclosed
US-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers AMERICAN HOME PRODUCTS CORPORATION (US) 2002-11-28 — — US disclosed
US-6465523-B1 TREATMENT OF SMOOTH MUSCLE CONTRACTION DISORDERS SUCH AS URINARY INCONTINENCE, ASTHMA, PREMATURE LABOR, IRRITABLE BOWEL SYNDROME, CONGESTIVE HEART FAILURE, ANGINA, CEREBRAL VASCULAR DISEASE AMERICAN HOME PRODUCTS 2002-10-15 — — US disclosed
US-6462059-B1 TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION; URINARY INCONTINENCE, ASTHMA, PREMATURE LABOR, IRRITABLE BOWEL SYNDROME, CONGESTIVE HEART FAILURE, ANGINA, AND CEREBRAL VASCULAR DISEASE AMERICAN HOME PRODUCTS 2002-10-08 — — US disclosed
US-6376555-B1 MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 — — 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-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER KCNMA1, KCNMB1, KCNA1 KMT2A 176/4885MEN1 2510/4885POLB 4409/4885
US-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers KCNN3, KCNJ2, KCNE1 KMT2A 584/4885MEN1 2365/4885POLB 3542/4885

“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.

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