SCHEMBL7075419

SCHEMBL7075419

N#Cc1cc(C#N)cc(Oc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
LTA4H P09960 1/20 0.48
PTGS2 P35354 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
PYGL P06737 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL7426076 0.92 LTA4H (0.49) VCAM1LTA4HPTGS2MEN1KMT2A
SCHEMBL6273333 0.85 TSHR (0.64) LTA4HPTGS2MEN1KMT2AMAPT
SCHEMBL30043252 0.85 TSHR (0.64) LTA4HPTGS2MEN1KMT2AMAPT
SCHEMBL4203388 0.83 TSHR (0.67) LTA4HPTGS2MEN1KMT2AMAPT
SCHEMBL7429410 0.82 ALDH1A1 (0.61) VCAM1LTA4HPTGS2MEN1KMT2A
SCHEMBL7070749 0.82 SMN1; SMN2 (0.50) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9158141 0.80 ALDH1A1 (0.67) LTA4HPTGS2MEN1KMT2AMAPT
SCHEMBL9356592 0.80 ALDH1A1 (0.67) LTA4HPTGS2MEN1KMT2AMAPT
SCHEMBL11451626 0.80 LTA4H (0.49) LTA4HPTGS2MEN1KMT2AMAPT
SCHEMBL7074457 0.79 KMT2A (0.57) MEN1KMT2AMAPTLMNAKDM4E

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-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 US disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 VCAM1 4806/4885LTA4H 1577/4885PTGS2 1767/4885

“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.