SCHEMBL3950495

SCHEMBL3950495

O=C(O)c1ccc(Cl)c2c1NCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
MPI P34949 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PARP1 P09874 2/20 0.39
TSHR P16473 3/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC4 P56524 1/20 0.36
PNMT P11086 1/20 0.35
PRKD1 Q15139 1/20 0.35

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
SCHEMBL5328612 0.81 PARP1 (0.39) ALDH1A1TP53KDM4EMAPTMEN1
SCHEMBL5330428 0.81 PARP1 (0.49) KDM4EMAPTPARP1
SCHEMBL10845876 0.79 MAPT (0.56) ALDH1A1TP53KDM4EMAPTMEN1
SCHEMBL3943394 0.77 MEN1 (0.40) ALDH1A1TP53KDM4EMAPTMEN1
SCHEMBL10908653 0.76 MAPT (0.59) ALDH1A1TP53KDM4EMAPTMEN1
SCHEMBL7269356 0.75 CYP1A2 (0.44) ALDH1A1TP53KDM4EMAPTMEN1
SCHEMBL6970151 0.75 PARP1 (0.39) ALDH1A1TP53KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL10911207 0.75 MAPT (0.57) ALDH1A1TP53KDM4EMAPTMEN1
SCHEMBL10914542 0.74 KDM4E (0.51) ALDH1A1TP53KDM4EMAPTMEN1
SCHEMBL13312001 0.73 PARP1 (0.43) ALDH1A1TP53KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP ALDH1A1 1635/4885TP53 4726/4885KDM4E 4055/4885

“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.