SCHEMBL405745

SCHEMBL405745

CCOC(=O)CCCCCNc1cc(OC)c(C(=O)O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
TNF P01375 1/20 0.41
CISD1 Q9NZ45 6/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
TOP2A P11388 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11569742 0.85 CISD1 (0.53) TDP1CISD1MAPTKDM4EALDH1A1
SCHEMBL8902085 0.81 CISD1 (0.50) TDP1CISD1MAPK1MAPTKDM4E
SCHEMBL12316423 0.80 TDP1 (0.45) TDP1MAPTKDM4EALDH1A1POLB
SCHEMBL380902 0.79 TNF (0.40) TDP1TNFKDM4EALDH1A1
SCHEMBL10971694 0.78 TNF (0.50) TNFMAPK1MAPTKDM4EALDH1A1
SCHEMBL12316387 0.75 HTT (0.55) TDP1MAPTKDM4EALDH1A1POLB
SCHEMBL10972729 0.74 TNF (0.51) TNFMAPK1MAPTKDM4EALDH1A1
SCHEMBL6439858 0.73 HTR4 (0.60) ALDH1A1
SCHEMBL5754001 0.73 TDP1 (0.47) TDP1MAPK1MAPTKDM4EALDH1A1
SCHEMBL25142537 0.73 ALDH1A1 (0.49) TDP1MAPTKDM4EALDH1A1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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 (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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 TDP1 4823/4885TNF 4583/4885CISD1 3894/4885

“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.