SCHEMBL3612430

SCHEMBL3612430

O=C(Nc1cnn(COc2cc(Cl)ccc2Cl)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
SLC2A1 P11166 2/20 0.44
WNT1 P04628 2/20 0.44
GSK3B P49841 2/20 0.44
DYRK1A Q13627 2/20 0.44
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
PLA2G1B P04054 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42

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
Hydrochloric Acid SCHEMBL3600659 0.99 PTGER1 (0.48) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
SCHEMBL3604806 0.93 PTGER1 (0.49) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
Hydrochloric Acid SCHEMBL3607482 0.92 PTGER1 (0.49) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
SCHEMBL13504910 0.89 SLC2A1 (0.48) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
Hydrochloric Acid SCHEMBL3600084 0.88 SLC2A1 (0.50) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
Hydrochloric Acid SCHEMBL3604615 0.86 SMN1; SMN2 (0.49) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
SCHEMBL3606877 0.86 ALDH1A1 (0.47) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
Hydrochloric Acid SCHEMBL3611595 0.86 ALDH1A1 (0.46) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
SCHEMBL3608032 0.85 MEN1 (0.55) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B
SCHEMBL3602522 0.83 SMN1; SMN2 (0.60) PTGER1SMN1; SMN2SLC2A1WNT1GSK3B

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US claimed

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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 PTGER1 727/4885SMN1; SMN2 618/4885SLC2A1 1415/4885

“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.