SCHEMBL13153145

SCHEMBL13153145

CC(C)(C)Cc1cnn(Cc2ccccc2F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
PKM P14618 1/20 0.62
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KLKB1 P03952 1/20 0.41
ALK Q9UM73 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
SCD O00767 2/20 0.39
SCD5 Q86SK9 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2A13 Q16696 1/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
TAS2R8 Q9NYW2 2/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL15014102 0.84 L3MBTL1 (0.63) ALDH1A1MAPTL3MBTL1PKMKMT2A
SCHEMBL13153129 0.83 KLKB1 (0.44) ALDH1A1MAPTL3MBTL1PKMKLKB1
SCHEMBL13153136 0.83 MAPT (0.48) ALDH1A1MAPTL3MBTL1PKMKMT2A
SCHEMBL13153130 0.83 LMNA (0.44) ALDH1A1MAPTL3MBTL1PKMKMT2A
SCHEMBL13181128 0.81 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1PKMKMT2A
SCHEMBL3091005 0.81 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1PKMKMT2A
SCHEMBL3085251 0.81 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1PKMKMT2A
SCHEMBL13153113 0.80 L3MBTL1 (0.56) MAPTL3MBTL1KMT2AMEN1KLKB1
SCHEMBL3093292 0.78 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1PKMKMT2A
SCHEMBL13153123 0.78 LMNA (0.60) ALDH1A1MAPTL3MBTL1PKMALK

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

“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.