SCHEMBL4093594

SCHEMBL4093594

O=C(O)c1nc(C(Cl)(Cl)Cl)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PPP1CA P62136 1/20 0.47
KMT2A Q03164 5/20 0.46
HTT P42858 1/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
RECQL P46063 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.41
KMO O15229 1/20 0.41
MDM2 Q00987 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 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
SCHEMBL4100012 0.88 KMT2A (0.54) KDM4EALDH1A1PPP1CAKMT2AHTT
SCHEMBL4017916 0.87 SMN1; SMN2 (0.58) KDM4EALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL10730944 0.84 KMT2A (0.67) KMT2APOLBKMONOTUM
SCHEMBL4013777 0.83 RPA1 (0.47) KDM4EALDH1A1PPP1CAHTTSMN1; SMN2
SCHEMBL9459793 0.81 KMT2A (0.55) KDM4EALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL13901654 0.80 POLB (0.48) KDM4EALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL15362663 0.80 HTT (0.64) KDM4EALDH1A1PPP1CAKMT2AHTT
SCHEMBL123976 0.80 HTT (0.53) KDM4EALDH1A1HTTNOTUMLMNA
SCHEMBL10733446 0.75 SMN1; SMN2 (0.48) KDM4EALDH1A1SMN1; SMN2POLBL3MBTL1
Acrylic Acid SCHEMBL23706633 0.74 HTT (0.47) KDM4EALDH1A1HTTNOTUMLMNA

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 KDM4E 4055/4885ALDH1A1 1426/4885PPP1CA 2245/4885

“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.