SCHEMBL7718013

SCHEMBL7718013

Nc1ccc(N2CCCC3CCCCC32)c(Cl)c1.Nc1ccc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.35
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
PRCP P42785 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RAD52 P43351 1/20 0.33
SMARCA2 P51531 2/20 0.33
SMARCA4 P51532 2/20 0.33
PBRM1 Q86U86 2/20 0.33
NR1I2 O75469 1/20 0.33
NR1H2 P55055 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7718009 0.87 MAPT (0.35) ALDH1A1POLBMRGPRX4MAPTSMN1; SMN2
SCHEMBL6819782 0.83 ALDH1A1 (0.53) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL7718012 0.77 ALDH1A1 (0.36) ALDH1A1POLBHTTMRGPRX4MAPT
SCHEMBL2564423 0.76 MAPT (0.52) ALDH1A1POLBHTTMRGPRX4MAPT
SCHEMBL30780916 0.76 MAPT (0.52) ALDH1A1POLBHTTMRGPRX4MAPT
SCHEMBL7786761 0.70 ALDH1A1 (0.38) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL1110662 0.67 ALDH1A1 (0.49) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL1110664 0.67 ALDH1A1 (0.49) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL1110665 0.67 ALDH1A1 (0.49) ALDH1A1HTTMAPTGAAKDM4E
SCHEMBL22069677 0.65 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.