SCHEMBL3129490

SCHEMBL3129490

CCOc1cc(NCc2cncs2)ccc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.41
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
APAF1 O14727 1/20 0.38
SHMT2 P34897 1/20 0.37
GPX4 P36969 1/20 0.36
F3 P13726 4/20 0.36
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 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
SCHEMBL3131179 0.90 F2 (0.42) F7MAPTKDM4EALDH1A1APAF1
SCHEMBL3128380 0.86 KDM4E (0.50) F7MAPTKDM4EALDH1A1APAF1
SCHEMBL3207727 0.86 CYP2C19 (0.39) CYP2C19CYP2C9KCNH2MAPTGPX4
SCHEMBL3121001 0.85 GPX4 (0.44) CYP2C19CYP2C9KCNH2MAPTKDM4E
SCHEMBL3126018 0.84 DHFR (0.48) MAPTKDM4EALDH1A1APAF1GPX4
SCHEMBL3118114 0.79 CYP3A4 (0.39) CYP2C19CYP2C9GPX4TDP1
SCHEMBL3123550 0.76 F2 (0.42) F7CYP2C19CYP2C9MAPTKDM4E
SCHEMBL3126185 0.75 BRD4 (0.48) F7CYP2C19CYP2C9KCNH2MAPT
SCHEMBL3129552 0.75 GPX4 (0.43) CYP2C19CYP2C9MAPTKDM4EALDH1A1
SCHEMBL3118081 0.72 PDE4B (0.41) MAPTKDM4EALDH1A1GPX4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B F7 3964/4885CYP2C19 241/4885CYP2C9 310/4885

“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.