SCHEMBL4884919

SCHEMBL4884919

CC(C)(C)c1ccc(C(=O)NN=C(C=NO)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 5/20 0.56
AGTR1 P30556 1/20 0.50
KCNK9 Q9NPC2 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL4884917 1.00 ESRRG (0.56) ESRRGAGTR1KCNK9RAB9ANPC1
SCHEMBL5716131 0.94 ESRRG (0.50) ESRRGAGTR1KCNK9RAB9ANPC1
SCHEMBL5716137 0.94 ESRRG (0.50) ESRRGAGTR1KCNK9RAB9ANPC1
SCHEMBL4882268 0.90 ESRRG (0.46) ESRRGAGTR1RAB9ANPC1MEN1
SCHEMBL4882273 0.90 ESRRG (0.46) ESRRGAGTR1RAB9ANPC1MEN1
SCHEMBL5715915 0.89 NPC1 (0.53) AGTR1RAB9ANPC1MEN1KMT2A
SCHEMBL5715919 0.89 NPC1 (0.53) AGTR1RAB9ANPC1MEN1KMT2A
SCHEMBL4883196 0.86 RAB9A (0.49) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4883201 0.86 RAB9A (0.49) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4878977 0.86 MAPT (0.59) RAB9ANPC1MEN1KMT2AKDM4E

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-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 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-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 ESRRG 1722/4885AGTR1 1045/4885KCNK9 4036/4885

“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.