SCHEMBL10107952

SCHEMBL10107952

CCOC(=O)CCCCNc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
TOP2A P11388 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NAMPT P43490 1/20 0.45
KYAT1 Q16773 1/20 0.45
POLB P06746 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6829473 0.99 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AHPGDTOP2A
SCHEMBL23673315 0.95 MAPT (0.51) ALDH1A1MAPTKMT2AHPGDTOP2A
SCHEMBL9831233 0.89 MAPT (0.54) ALDH1A1MAPTKMT2AHPGDTOP2A
SCHEMBL25221002 0.86 HPGD (0.58) ALDH1A1MAPTKMT2AHPGDCYP1A2
SCHEMBL10108013 0.85 ALDH1A1 (0.70) ALDH1A1MAPTTOP2ACYP3A4CYP2C19
SCHEMBL5792896 0.84 GAA (0.53) ALDH1A1MAPTKMT2ATOP2AKYAT1
SCHEMBL8705157 0.84 ALDH1A1 (0.68) ALDH1A1MAPTTOP2ACYP3A4CYP2C19
SCHEMBL11404787 0.84 ALDH1A1 (0.68) ALDH1A1MAPTTOP2ACYP3A4CYP2C19
SCHEMBL14570539 0.83 TOP2A (0.53) ALDH1A1MAPTTOP2ACYP1A2CYP3A4
SCHEMBL7712005 0.83 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ATOP2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466161-B2 Hydroxamate derivative, a production method for the same, and a pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-06-18 US disclosed
US-20120028963-A1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-02-02 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-20120028963-A1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HAAO, HPD, HCAR2 ALDH1A1 910/4885MAPT 1675/4885KMT2A 1000/4885

“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.