SCHEMBL684998

SCHEMBL684998

O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.76
NPC1 O15118 6/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
MAPT P10636 3/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2C19 P33261 2/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
HTT P42858 3/20 0.68
HPGD P15428 1/20 0.68
KDM1A O60341 4/20 0.67
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
KLF5 Q13887 1/20 0.66
KDM4E B2RXH2 3/20 0.65
PSMD14 O00487 1/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 1/20 0.65
MMP2 P08253 1/20 0.65

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
SCHEMBL684774 0.90 RAB9A (0.80) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL6751419 0.90 KDM1A (0.81) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL684639 0.90 KDM1A (0.81) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL6751416 0.90 KDM1A (0.81) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL20587607 0.89 KDM1A (0.72) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL20587606 0.89 KDM1A (0.72) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL684783 0.87 KDM1A (0.82) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL684844 0.86 KDM1A (0.80) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL684997 0.85 PIK3CG (0.69) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL6569253 0.85 PIK3CG (0.69) RAB9ANPC1SMN1; SMN2MAPTCYP1A2

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 RAB9A 3846/4885NPC1 1690/4885SMN1; SMN2 4107/4885

“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.