SCHEMBL7110537

SCHEMBL7110537

O=[N+]([O-])c1cccc(C=Cc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.60
CYP19A1 P11511 1/20 0.59
FBP1 P09467 3/20 0.55
VCP P55072 1/20 0.55
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
TRPV1 Q8NER1 1/20 0.52
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
MCL1 Q07820 1/20 0.51
PTK2B Q14289 1/20 0.51
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7110533 1.00 NFE2L2 (0.60) NFE2L2CYP19A1FBP1VCPALDH1A1
SCHEMBL7994558 1.00 NFE2L2 (0.60) NFE2L2CYP19A1FBP1VCPALDH1A1
SCHEMBL11020635 0.84 MEN1 (0.53) CYP19A1FBP1MAPTRAB9ANPC1
SCHEMBL11019081 0.84 MEN1 (0.53) CYP19A1FBP1MAPTRAB9ANPC1
SCHEMBL11023346 0.84 MEN1 (0.53) CYP19A1FBP1MAPTRAB9ANPC1
SCHEMBL15498134 0.81 NFE2L2 (0.89) NFE2L2CYP19A1FBP1VCPALDH1A1
SCHEMBL11020247 0.81 KMT2A (0.60) NFE2L2CYP19A1FBP1ALDH1A1MAPT
SCHEMBL6798940 0.80 NFE2L2 (0.70) NFE2L2CYP19A1FBP1VCPALDH1A1
SCHEMBL6798937 0.80 NFE2L2 (0.70) NFE2L2CYP19A1FBP1VCPALDH1A1
SCHEMBL11301074 0.78 CYP19A1 (0.93) NFE2L2CYP19A1FBP1VCPALDH1A1

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-20030203908-A1 Dihydrofolate reductase inhibitors ISIS INNOVATION LIMITED (GB) 2003-10-30 US disclosed
WO-2001053276-A1 DIHYDROFOLATE REDUCTASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2001-07-26 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-20030203908-A1 Dihydrofolate reductase inhibitors DHFR, CBR1, GRHPR NFE2L2 1783/4885CYP19A1 163/4885FBP1 277/4885

“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.