SCHEMBL6473328

SCHEMBL6473328

CN(c1ncccn1)C1(C(N)=O)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.32
GRM1 Q13255 1/20 0.32
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HSD11B1 P28845 1/20 0.30
PLAU P00749 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL6470655 0.81 BRD4 (0.35) LMNAALDH1A1HTTHDAC3HDAC4
SCHEMBL2875860 0.76 LMNA (0.36) LMNAALDH1A1
Hydrochloric Acid SCHEMBL19926061 0.74 LMNA (0.35) LMNAALDH1A1
SCHEMBL2832684 0.73 LMNA (0.33) LMNAALDH1A1
SCHEMBL6472246 0.71 NCF1 (0.46) LMNAALDH1A1HTT
SCHEMBL6473327 0.70 HSD11B1 (0.32) GRM1ALDH1A1HTTHSD11B1
SCHEMBL1050696 0.69 PKM (0.31) LMNA
Trifluoroacetic Acid SCHEMBL3757010 0.66 CPB2 (0.34) LMNA
SCHEMBL15566642 0.65 GRIN1 (0.33)
SCHEMBL2843811 0.65

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 P2RX7 536/4885LMNA 3391/4885GRM1 190/4885

“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.