SCHEMBL13153136

SCHEMBL13153136

CC(C)(C)Cc1cnn(Cc2ccccc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
LMNA P02545 1/20 0.36
KLKB1 P03952 5/20 0.36
CREBBP Q92793 2/20 0.36
MPO P05164 2/20 0.36
FDPS P14324 1/20 0.35
RPS6KA3 P51812 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
HDAC2 Q92769 1/20 0.33
KDM1A O60341 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL15014100 0.84 L3MBTL1 (0.48) MAPTL3MBTL1ALDH1A1PKMMEN1
SCHEMBL13153145 0.83 ALDH1A1 (0.62) MAPTL3MBTL1ALDH1A1PKMMEN1
SCHEMBL13153130 0.83 LMNA (0.44) MAPTL3MBTL1ALDH1A1PKMMEN1
SCHEMBL13181097 0.81 L3MBTL1 (0.46) MAPTL3MBTL1ALDH1A1PKMMEN1
SCHEMBL13153113 0.80 L3MBTL1 (0.56) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL13153138 0.77 MEN1 (0.52) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13153133 0.74 CREBBP (0.50) L3MBTL1ALDH1A1PKMMEN1KMT2A
SCHEMBL13153147 0.73 KCNH2 (0.51) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13153132 0.72 L3MBTL1 (0.50) L3MBTL1ALDH1A1PKMKLKB1
SCHEMBL13153129 0.72 KLKB1 (0.44) MAPTL3MBTL1ALDH1A1PKMTAS2R8

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 MAPT 2813/4885L3MBTL1 4273/4885ALDH1A1 617/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 MAPT 4456/4885L3MBTL1 3982/4885ALDH1A1 2036/4885

“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.