SCHEMBL9943874

SCHEMBL9943874

O=C(O)Cc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.67
HRH4 Q9H3N8 1/20 0.60
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
MBTD1 Q05BQ5 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3708449 0.98 HRH3 (0.63) HRH3HRH4ALDH1A1KDM4EHDAC1
Hydrochloric Acid SCHEMBL3715506 0.96 HRH3 (0.61) HRH3HRH4ALDH1A1KDM4EHDAC1
SCHEMBL3693072 0.86 HRH3 (0.62) HRH3HRH4ALDH1A1KDM4EHDAC1
SCHEMBL8510915 0.84 ITGB3 (0.56) HRH3ALDH1A1KDM4EHDAC1CYP2D6
SCHEMBL8745021 0.84 SIGMAR1 (0.65) HRH3ALDH1A1KDM4EITGB3ITGA2B
SCHEMBL5304957 0.82 MC4R (0.62) HRH3ALDH1A1KDM4EHDAC6ITGB3
SCHEMBL5477508 0.82 SMN1; SMN2 (0.63) HRH3ALDH1A1KDM4EITGB3ITGA2B
SCHEMBL8745033 0.82 ITGB3 (0.55) HRH3ALDH1A1KDM4EHDAC1ITGB3
SCHEMBL4277270 0.82 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL6223200 0.81 HRH3 (0.61) HRH3HRH4ALDH1A1KDM4EHDAC1

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-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 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-20120208797-A1 PYRIMIDONE DERIVATIVES PSEN1, PRNP, PSEN2 HRH3 662/4885HRH4 1519/4885ALDH1A1 2075/4885

“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.