SCHEMBL7534311

SCHEMBL7534311

COc1ccc(-c2c(NCC(C)C)c(=O)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ POLB P06746 1/20 0.59
▸ HPGD P15428 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SHMT2 P34897 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL7011839 0.84 KMT2A (0.62) MEN1KMT2APOLBHPGDCTDSP1
SCHEMBL7014918 0.75 PLK1 (0.50) MEN1KMT2APOLBHPGDPTGS2
SCHEMBL8853989 0.74 MEN1 (0.42) MEN1KMT2APOLBHPGDCTDSP1
SCHEMBL7009588 0.72 ALDH1A1 (0.57) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL7689885 0.72 ALDH1A1 (0.57) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL7534781 0.72 KMT2A (0.54) MEN1KMT2APOLBHPGDCTDSP1
SCHEMBL16671107 0.71 MAPT (0.63) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL7004806 0.71 MEN1 (0.73) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL10844436 0.70 PTGS2 (0.57) MEN1KMT2APOLBPTGS2KDM4E
SCHEMBL16674396 0.70 KDM4E (0.42) MEN1KMT2APOLBALDH1A1KDM4E

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 8 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-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
EP-1135365-A1 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-26 — — EP disclosed
WO-2000034230-A1 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION 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-20020177613-A1 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers KCNN3, KCNJ2, KCNE1 MEN1 2365/4885KMT2A 584/4885POLB 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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