SCHEMBL21799239

SCHEMBL21799239

COc1ccc([N+](=O)[O-])c(C=C[N+](=O)[O-])c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.60
VCP P55072 4/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
FBP1 P09467 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL21799238 1.00 PRMT1 (0.60) PRMT1VCPTUBB4ATUBBTUBA3C
SCHEMBL3900738 0.83 MAPT (0.59) PRMT1FBP1ALDH1A1TDP1LMNA
SCHEMBL3900730 0.83 MAPT (0.59) PRMT1FBP1ALDH1A1TDP1LMNA
SCHEMBL9315352 0.83 MAPT (0.56) PRMT1VCPALDH1A1TDP1SYK
SCHEMBL9315348 0.83 MAPT (0.56) PRMT1VCPALDH1A1TDP1SYK
SCHEMBL1318577 0.83 ALDH1A1 (0.50) PRMT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL34463085 0.82 PRMT1 (0.56) PRMT1VCPTUBB4ATUBBTUBA3C
Ethylene SCHEMBL10751755 0.80 ALDH1A1 (0.47) PRMT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4307853 0.77 PRMT1 (0.66) PRMT1VCPFBP1ALDH1A1TDP1
SCHEMBL4307858 0.77 PRMT1 (0.66) PRMT1VCPFBP1ALDH1A1TDP1

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-10590116-B2 3-indolyl furanoids as inhibitors of matrix metalloproteinase-9 for prevention of gastric ulcer and other inflammatory diseases COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-03-17 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-10590116-B2 3-indolyl furanoids as inhibitors of matrix metalloproteinase-9 for prevention of gastric ulcer and other inflammatory diseases MMP9, MMP1, TIMP3 PRMT1 1107/4885VCP 4522/4885TUBB4A 4700/4885

“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.