SCHEMBL4886333

SCHEMBL4886333

O=C(NN=C(C=NO)c1ccc(Oc2ccccc2)cc1)c1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CASP3 P42574 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
CYP2C9 P11712 1/20 0.58
HTT P42858 1/20 0.58
MTOR P42345 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
CCR6 P51684 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 2/20 0.48
OGG1 O15527 2/20 0.47
HDAC8 Q9BY41 1/20 0.46
GRM5 P41594 2/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL4886315 1.00 MAPT (0.58) MAPTCYP1A2CYP2C19CASP3SENP7
SCHEMBL4878016 0.91 NPC1 (0.59) MAPTCYP1A2CYP2C19CASP3SENP7
SCHEMBL4878014 0.91 NPC1 (0.59) MAPTCYP1A2CYP2C19CASP3SENP7
SCHEMBL4882302 0.88 MAOA (0.55) MAPTCYP1A2CYP2C19MTORNPC1
SCHEMBL4882310 0.88 MAOA (0.55) MAPTCYP1A2CYP2C19MTORNPC1
SCHEMBL4888895 0.87 CYP1A2 (0.64) MAPTCYP1A2CYP2C19CASP3SENP7
SCHEMBL4888888 0.87 CYP1A2 (0.64) MAPTCYP1A2CYP2C19CASP3SENP7
SCHEMBL4889942 0.87 MAPT (0.49) MAPTCYP1A2CYP2C19CASP3SENP7
SCHEMBL4889947 0.87 MAPT (0.49) MAPTCYP1A2CYP2C19CASP3SENP7
SCHEMBL4912706 0.84 CYP1A2 (0.53) MAPTCYP1A2CYP2C19CYP2C9MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 US disclosed
EP-1725227-A1 USE OF NEW LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2006-11-29 EP disclosed
WO-2005084656-A1 USE OF NEW LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2005-09-15 WO 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-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 MAPT 4603/4885CYP1A2 74/4885CYP2C19 116/4885

“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.