SCHEMBL684770

SCHEMBL684770

C/C(=N\NC(=O)c1cccc(Br)c1)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
MTOR P42345 4/20 0.68
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C19 P33261 1/20 0.67
KDM1A O60341 3/20 0.65
AGTR1 P30556 1/20 0.62
OPRK1 P41145 1/20 0.62
MAPT P10636 4/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 1/20 0.57
OGG1 O15527 1/20 0.56
KMT2A Q03164 3/20 0.56
CCR6 P51684 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL10049960 0.87 RAB9A (0.72) NPC1RAB9ASMN1; SMN2MTORCYP1A2
SCHEMBL683725 0.85 KDM1A (0.67) NPC1RAB9ASMN1; SMN2MTORKDM1A
SCHEMBL684817 0.85 KDM1A (0.79) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL684658 0.84 KDM1A (0.83) NPC1RAB9ASMN1; SMN2MTORCYP1A2
SCHEMBL12316802 0.84 KDM1A (0.65) NPC1RAB9ASMN1; SMN2MTORKDM1A
SCHEMBL684535 0.84 KDM1A (0.65) NPC1RAB9ASMN1; SMN2MTORKDM1A
SCHEMBL684473 0.84 MTOR (0.77) NPC1RAB9ASMN1; SMN2MTORCYP1A2
SCHEMBL684771 0.84 KDM1A (0.70) RAB9ASMN1; SMN2MTORCYP1A2CYP3A4
SCHEMBL684684 0.83 KDM1A (0.72) NPC1RAB9ASMN1; SMN2MTORCYP1A2
SCHEMBL12387768 0.82 KDM1A (0.74) NPC1RAB9ASMN1; SMN2MTORKDM1A

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 NPC1 1690/4885RAB9A 3846/4885SMN1; 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.