SCHEMBL7535773

SCHEMBL7535773

COc1ccc(-c2c(NC(C)(C)Cc3ccccc3)c(=O)c2=O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ PDE4A P27815 5/20 0.41
▸ PDE4B Q07343 5/20 0.41
▸ PDE4C Q08493 5/20 0.41
▸ PDE4D Q08499 5/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SHMT2 P34897 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 2/20 0.39

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 0.84 MEN1 (0.62) KMT2AMEN1POLBLMNAHTT
SCHEMBL7010832 0.83 HPGD (0.43) KMT2AMEN1POLBLMNAMAPT
SCHEMBL7005304 0.79 HTR2A (0.38) KMT2AMEN1POLBLMNAHTT
SCHEMBL29385001 0.71 KDM4E (0.55) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL7534781 0.66 KMT2A (0.54) KMT2AMEN1POLBCA1CA2
SCHEMBL9505893 0.64 ERN1 (0.55) KMT2AMEN1PDE4ACA1CA2
SCHEMBL31658309 0.63 ALDH1A1 (0.62) LMNAHTTMAPTSMN1; SMN2HPGD
SCHEMBL8976443 0.63 SLC6A2 (0.46) KMT2AMEN1CA2LMNAHTT
SCHEMBL4533772 0.62 L3MBTL1 (0.62) KMT2AMEN1PDE4ACA1CA2
SCHEMBL5444593 0.61 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B

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 4 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 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 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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