SCHEMBL684840

SCHEMBL684840

COc1ccc(C(=O)N/N=C(\C)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.73
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
P2RX1 P51575 1/20 0.55
CYP1A2 P05177 1/20 0.54
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL683856 0.93 KDM1A (0.66) KDM1AMAPTGAAKDM4EALDH1A1
SCHEMBL685030 0.90 KDM1A (0.59) KDM1AMAPTGAAKDM4EALDH1A1
SCHEMBL685115 0.90 KDM1A (0.85) KDM1AMAPTCYP1A2MEN1KMT2A
SCHEMBL685128 0.86 GAA (0.56) KDM1AMAPTGAAKDM4EALDH1A1
SCHEMBL684836 0.86 KDM1A (0.79) KDM1AMAPTGAAKDM4EALDH1A1
SCHEMBL685250 0.85 MAPT (0.57) KDM1AMAPTGAAKDM4EALDH1A1
SCHEMBL685351 0.85 GAA (0.55) KDM1AMAPTGAACYP1A2MAOB
SCHEMBL684701 0.85 KDM1A (0.77) KDM1AMAPTKDM4ECYP1A2MEN1
SCHEMBL13568924 0.85 KDM1A (0.55) KDM1AMAPTGAAKDM4EALDH1A1
SCHEMBL684591 0.85 KDM1A (0.65) KDM1AMAPTGAAKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 KDM1A 484/4885MAPT 1491/4885GAA 670/4885

“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.