SCHEMBL3602956

SCHEMBL3602956

O=C(Nc1cnn(COc2cccc(C(F)(F)F)c2)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
BTK Q06187 1/20 0.42
WNT1 P04628 2/20 0.42
GSK3B P49841 2/20 0.42
DYRK1A Q13627 2/20 0.42
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
ASIC3 Q9UHC3 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 1/20 0.41
CCNC P24863 1/20 0.40

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 SCHEMBL3601453 0.99 ALDH1A1 (0.42) ALDH1A1BTKWNT1GSK3BDYRK1A
SCHEMBL3606877 0.88 ALDH1A1 (0.47) ALDH1A1WNT1GSK3BDYRK1AF2
Hydrochloric Acid SCHEMBL3611595 0.87 ALDH1A1 (0.46) ALDH1A1WNT1GSK3BDYRK1AF2
SCHEMBL3608825 0.86 SCD5 (0.53) ALDH1A1ASIC3MAPTROCK2MEN1
SCHEMBL13504910 0.83 SLC2A1 (0.48) ALDH1A1WNT1GSK3BDYRK1AF2
Hydrochloric Acid SCHEMBL3604615 0.83 SMN1; SMN2 (0.49) ALDH1A1WNT1GSK3BDYRK1AF2
Hydrochloric Acid SCHEMBL3600084 0.82 SLC2A1 (0.50) ALDH1A1WNT1GSK3BDYRK1AF2
SCHEMBL3601422 0.82 RAF1 (0.43) ALDH1A1RAB9AGAAMAPTMAPK1
SCHEMBL3605849 0.81 NAMPT (0.49) WNT1GSK3BDYRK1AF2PLG
SCHEMBL13504959 0.78 SCD5 (0.52) WNT1GSK3BDYRK1ACYP2C9CYP2C19

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 ALDH1A1 430/4885BTK 1606/4885WNT1 4650/4885

“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.