SCHEMBL7010832

SCHEMBL7010832

COc1cc(-c2c(NC(C)(C)Cc3ccccc3)c(=O)c2=O)cc(Br)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ POLB P06746 1/20 0.38
▸ MIF P14174 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL7536943 0.84 HTT (0.35) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7535773 0.83 KMT2A (0.44) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7005304 0.81 HTR2A (0.38) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7012962 0.81 MEN1 (0.39) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7011665 0.77 MEN1 (0.62) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL7007650 0.77 KMT2A (0.46) HPGDLMNAMEN1KMT2APOLB
SCHEMBL7010048 0.67 SHMT2 (0.42) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL7378668 0.64 MAPK8 (0.62) —
SCHEMBL6947814 0.64 LMNA (0.53) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7010768 0.64 HTR2A (0.36) KMT2AALDH1A1KDM4ETSHR

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 11 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
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 HPGD 3007/4885LMNA 798/4885SMN1; SMN2 2519/4885

“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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