SCHEMBL13153157

SCHEMBL13153157

CC(C)(C)Cc1cnn(CCCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ SIGMAR1 Q99720 5/20 0.40
▸ KDM1A O60341 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL15014142 0.83 ADORA2A (0.46) ADORA2AADORA2BADORA1SIGMAR1KDM1A
SCHEMBL13181029 0.82 ADORA2A (0.47) ADORA2AADORA2BADORA1SIGMAR1KDM1A
SCHEMBL13153113 0.81 L3MBTL1 (0.56) MEN1KMT2AADORA2AADORA1POLB
SCHEMBL26748196 0.80 L3MBTL1 (0.33) L3MBTL1
SCHEMBL26748195 0.78 L3MBTL1 (0.33) L3MBTL1
SCHEMBL31224806 0.78 MAOB (0.47) MEN1KMT2AADORA2AADORA2BADORA1
SCHEMBL26748197 0.77 L3MBTL1 (0.32) L3MBTL1
SCHEMBL26748192 0.77 L3MBTL1 (0.32) L3MBTL1
SCHEMBL12776229 0.76 L3MBTL1 (0.50) NAMPTL3MBTL1
SCHEMBL6528550 0.75 SIGMAR1 (0.44) KMT2AADORA2AADORA2BADORA1SIGMAR1

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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 — — US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 — — US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 — — US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 — — 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 (2 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 MEN1 2509/4885KMT2A 1948/4885ADORA2A 1798/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 MEN1 725/4885KMT2A 2336/4885ADORA2A 948/4885

“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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