SCHEMBL7011665

SCHEMBL7011665

COc1ccc(-c2c(NC(C)(C)Cc3ccccc3)c(=O)c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ POLB P06746 1/20 0.62
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MMP1 P03956 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ CASR P41180 2/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL7007650 0.86 KMT2A (0.46) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL7535773 0.84 KMT2A (0.44) MEN1KMT2APOLBCTDSP1LMNA
SCHEMBL7534781 0.82 KMT2A (0.54) MEN1KMT2APOLBCTDSP1LMNA
SCHEMBL7012962 0.79 MEN1 (0.39) MEN1KMT2APOLBMMP1MMP13
SCHEMBL7010832 0.77 HPGD (0.43) MEN1KMT2APOLBCTDSP1CYP2D6
SCHEMBL7005304 0.75 HTR2A (0.38) MEN1KMT2APOLBMMP1MMP13
SCHEMBL7920862 0.73 CASR (0.42) MEN1KMT2APOLBMMP1MMP13
SCHEMBL7689885 0.72 ALDH1A1 (0.57) MEN1KMT2APOLBCYP2D6CYP3A4
SCHEMBL7009588 0.72 ALDH1A1 (0.57) MEN1KMT2APOLBCYP2D6CYP3A4
SCHEMBL7011839 0.69 KMT2A (0.62) MEN1KMT2APOLBCTDSP1HTT

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
JP-2003529532-A — — 2003-10-07 — — JP 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 claimed
US-6376555-B1 MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 — — US claimed
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 claimed
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 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

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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