SCHEMBL6794582

SCHEMBL6794582

O=C(NCCCn1nc2c(c1C(=O)OC(=O)C(F)(F)F)CCc1cnccc1-2)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 4/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 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
Trifluoroacetic Acid SCHEMBL6794578 0.89 SMN1; SMN2 (0.45) ROCK2SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL6795268 0.89 NPC1 (0.38) SMN1; SMN2
SCHEMBL6800589 0.87 NAMPT (0.42) ROCK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL6791640 0.86 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1RAB9A
SCHEMBL6794149 0.84 HTR5A (0.38) ROCK2ALDH1A1
SCHEMBL1655698 0.83 CYP1A2 (0.30) HPGD
SCHEMBL6791548 0.83 CYP1A2 (0.33) ALDH1A1HPGDHTT
SCHEMBL6794266 0.83 KMT2A (0.41) ROCK2SMN1; SMN2ALDH1A1HTT
SCHEMBL6800306 0.82 NAMPT (0.38) SMN1; SMN2ALDH1A1HPGD
SCHEMBL6792951 0.81 CYP1A2 (0.37) HPGD

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ROCK2 317/4885SMN1; SMN2 4333/4885ALDH1A1 4449/4885

“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.