SCHEMBL6790912

SCHEMBL6790912

CC(C(=O)O)c1ccc(N2C(=O)CCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
KMT2A Q03164 5/20 0.50
LMNA P02545 4/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 2/20 0.50
HTT P42858 2/20 0.50
GLA P06280 1/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.50
PGR P06401 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
DRD1 P21728 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6788274 0.81 MGLL (0.65) KMT2ALMNATP53SMN1; SMN2NFKB1
SCHEMBL5726769 0.78 ALDH1A1 (0.62) KMT2ALMNATP53SMN1; SMN2NFKB1
SCHEMBL5727188 0.78 ALDH1A1 (0.62) KMT2ALMNATP53SMN1; SMN2NFKB1
SCHEMBL5726374 0.78 ALDH1A1 (0.62) KMT2ALMNATP53SMN1; SMN2NFKB1
SCHEMBL1164614 0.77 PTGS2 (0.46) KMT2ALMNATP53SMN1; SMN2NFKB1
SCHEMBL6789729 0.77 KMT2A (0.62) CA12CA1CA9KMT2ALMNA
SCHEMBL59197 0.77 PTGS2 (0.74) LMNANFKB1PTGS2PTGS1CYP2C9
SCHEMBL11615277 0.76 ALDH1A1 (0.51) KMT2ALMNATP53SMN1; SMN2NFKB1
SCHEMBL6788185 0.76 ALDH1A1 (0.56) KMT2ALMNATP53SMN1; SMN2NFKB1
SCHEMBL6788699 0.75 CCNA2 (0.55) KMT2ALMNATP53SMN1; SMN2NFKB1

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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 US 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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 CA12 4575/4885CA1 3961/4885CA9 3274/4885

“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.