SCHEMBL7536943

SCHEMBL7536943

CCC(C)(C)Nc1c(-c2cc(Br)c(OC)c(OC)c2)c(=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ PDE1A P54750 6/20 0.33
▸ PDE1B Q01064 6/20 0.33
▸ PDE1C Q14123 6/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL7010832 0.84 HPGD (0.43) TSHRPDE1APDE1BPDE1CLMNA
SCHEMBL7010048 0.80 SHMT2 (0.42) CA1CA2MEN1KMT2AMAPT
SCHEMBL7010768 0.79 HTR2A (0.36) TSHRKMT2A
SCHEMBL7925770 0.74 CA1 (0.34) HTTTSHRAPOBEC3AAPOBEC3GLMNA
SCHEMBL7005301 0.64 HDAC1 (0.41) HTTHDAC1HDAC6MEN1KMT2A
SCHEMBL7012962 0.63 MEN1 (0.39) LMNASMN1; SMN2HPGDCA1CA2
Hydrochloric Acid SCHEMBL7011994 0.62 PLK1 (0.45) MEN1KMT2A
SCHEMBL9505964 0.60 ERN1 (0.51) HPGDL3MBTL1MAPT
SCHEMBL7599517 0.60 GAA (0.46) MAPT
SCHEMBL27595777 0.60 HTT (0.42) HTTTSHRAPOBEC3AAPOBEC3GLMNA

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 6 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

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 HTT 4603/4885TSHR 2386/4885APOBEC3A 4114/4885

“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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