SCHEMBL3949652

SCHEMBL3949652

O=C(O)c1cc(F)cc2c1NCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
MAPT P10636 2/20 0.43
PARP1 P09874 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
HDAC4 P56524 1/20 0.36
KEAP1 Q14145 1/20 0.35
NNMT P40261 1/20 0.34
PYGL P06737 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SRC P12931 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL9178074 0.82 KDM4E (0.44) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL9179945 0.82 KDM4E (0.55) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL3950860 0.81 KDM4E (0.43) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL3945745 0.81 KDM4E (0.43) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL4035775 0.81 KDM4E (0.43) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL9175444 0.81 KDM4E (0.43) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL3944234 0.80 KDM4E (0.40) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL9175188 0.78 NNMT (0.51) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL9179719 0.78 MAPT (0.48) KDM4EMAPTPARP1ALDH1A1HSD17B10
SCHEMBL9174721 0.78 XDH (0.45) KDM4EMAPTPARP1ALDH1A1HSD17B10

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 8 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
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
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 KDM4E 4055/4885MAPT 144/4885PARP1 4714/4885

“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.