SCHEMBL2531849

SCHEMBL2531849

[CH2]c1ccc(C(=O)N(C)CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
NAMPT P43490 1/20 0.44
HPGD P15428 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
PDK2 Q15119 1/20 0.41
MLYCD O95822 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 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
SCHEMBL14518464 0.89 HDAC4 (0.51) HDAC4NAMPTHPGDALDH1A1MAPT
SCHEMBL13758037 0.82 MMP13 (0.49) HDAC4NAMPTHPGDALDH1A1MAPT
SCHEMBL28352245 0.82 ALDH1A1 (0.52) HDAC4NAMPTHPGDALDH1A1MAPT
SCHEMBL5543735 0.82 HPGD (0.61) HPGDALDH1A1MAPTMLYCDSMN1; SMN2
SCHEMBL4499400 0.82 ESRRG (0.51) HDAC4NAMPTHPGDALDH1A1MAPT
SCHEMBL23146101 0.81 HDAC4 (0.48) HDAC4ALDH1A1PDK2MLYCDHDAC1
SCHEMBL15208211 0.81 HDAC4 (0.48) HDAC4MLYCDHDAC1HDAC6DRD2
SCHEMBL97484 0.80 ALDH1A1 (0.47) HDAC4NAMPTHPGDALDH1A1PDK2
SCHEMBL8429483 0.80 ALDH1A1 (0.55) HDAC4NAMPTHPGDALDH1A1SMN1; SMN2
SCHEMBL15218743 0.80 NSD2 (0.54) HDAC4NAMPTALDH1A1PDK2MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HDAC4 375/4885NAMPT 2230/4885HPGD 477/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HDAC4 620/4885NAMPT 2146/4885HPGD 345/4885

“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.