SCHEMBL661128

SCHEMBL661128

O=C(NN=Cc1c(O)cccc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
KDM1A O60341 3/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA9 Q16790 1/20 0.55
AGTR1 P30556 1/20 0.53
OPRK1 P41145 1/20 0.53
MAPT P10636 3/20 0.53

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
SCHEMBL683983 1.00 RAB9A (0.57) RAB9AKMT2AMEN1KDM4ELMNA
SCHEMBL685019 0.90 CYP1A2 (0.66) RAB9AKMT2AMEN1HTTKDM1A
SCHEMBL684571 0.90 CYP1A2 (0.61) RAB9AKMT2AMEN1KDM4EHTT
SCHEMBL684969 0.89 KDM1A (0.61) RAB9AKMT2AMEN1KDM4ELMNA
SCHEMBL10053112 0.88 KDM1A (0.54) RAB9AKMT2AMEN1KDM4ELMNA
SCHEMBL684652 0.86 KDM1A (0.70) RAB9AKMT2AMEN1LMNAHTT
SCHEMBL683990 0.85 MAPT (0.56) RAB9AKMT2AMEN1KDM4ELMNA
SCHEMBL684752 0.83 RAB9A (0.56) RAB9AKMT2AMEN1KDM4ELMNA
SCHEMBL683982 0.83 CYP1A2 (0.63) RAB9AKMT2AMEN1LMNAHTT
SCHEMBL684653 0.82 KMT2A (0.67) RAB9AKMT2AMEN1KDM4ELMNA

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-20120046170-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 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-20120046170-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER ALG1, SOD1, DHPS RAB9A 3936/4885KMT2A 2866/4885MEN1 3435/4885

“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.