SCHEMBL13665689

SCHEMBL13665689

CC1=NN(c2ccc(Br)cc2)C(C)C1C(=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.41
▸ ALDH1A1 P00352 11/20 0.40
▸ MAPT P10636 11/20 0.40
▸ HPGD P15428 8/20 0.40
▸ L3MBTL1 Q9Y468 6/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ RECQL P46063 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PDE5A O76074 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ LMNA P02545 4/20 0.37
▸ ATM Q13315 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ GLA P06280 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CACNA1H O95180 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35

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
SCHEMBL13666120 0.67 LOX (0.34) ALDH1A1MAPTHPGDL3MBTL1MEN1
SCHEMBL29059899 0.63 HSD11B1 (0.40) HSD11B1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL16158830 0.62 MEN1 (0.57) ALDH1A1MAPTHPGDL3MBTL1MEN1
SCHEMBL4296224 0.62 POLB (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2892140 0.62 LMNA (0.59) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9421729 0.62 LMNA (0.59) ALDH1A1MAPTHPGDMEN1KMT2A
Methyl Alcohol SCHEMBL28191829 0.59 SMN1; SMN2 (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL10337830 0.58 BCL2L1 (0.57) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL21517157 0.58 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL17193970 0.58 MAPT (0.54) ALDH1A1MAPTHPGDL3MBTL1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 HSD11B1 802/4885ALDH1A1 1105/4885MAPT 3590/4885

“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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