SCHEMBL7718012

SCHEMBL7718012

Nc1ccc(N2CCCC3CCCC=C32)c(Cl)c1.Nc1ccc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
TNK2 Q07912 1/20 0.33
MAPT P10636 5/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
RAD52 P43351 1/20 0.32
HCRTR2 O43614 1/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
PRCP P42785 1/20 0.31
TP53 P04637 1/20 0.31
HTR2A P28223 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL6819788 0.84 ALDH1A1 (0.49) ALDH1A1POLBHTTMAPTGAA
SCHEMBL7718013 0.77 ALDH1A1 (0.38) ALDH1A1POLBHTTMRGPRX4MAPT
SCHEMBL30780916 0.74 MAPT (0.52) ALDH1A1POLBHTTMRGPRX4MAPT
SCHEMBL2564423 0.74 MAPT (0.52) ALDH1A1POLBHTTMRGPRX4MAPT
SCHEMBL7718009 0.64 MAPT (0.35) ALDH1A1POLBMRGPRX4MAPTGAA
SCHEMBL10969215 0.62 ALDH1A1 (0.57) ALDH1A1POLBHTTMRGPRX4MAPT
SCHEMBL1771501 0.62 ALDH1A1 (0.68) ALDH1A1POLBHTTMRGPRX4MAPT
SCHEMBL22000046 0.60 TDP1 (0.51) ALDH1A1MRGPRX4MAPTKDM4EMEN1
SCHEMBL23328015 0.60 HPGD (0.50)
SCHEMBL22069677 0.60 HPGD (0.50)

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-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 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-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 ALDH1A1 3601/4885POLB 1683/4885HTT 3166/4885

“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.