SCHEMBL21665459

SCHEMBL21665459

N=C(N)c1ccc(OCCCCCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.71
F2 P00734 2/20 0.71
ST14 Q9Y5Y6 2/20 0.71
TMPRSS2 O15393 2/20 0.71
PLAU P00749 1/20 0.71
PRMT5 O14744 1/20 0.71
SLC22A2 O15244 1/20 0.71
SLC22A1 O15245 1/20 0.71
PTP4A3 O75365 1/20 0.71
SLC22A3 O75751 1/20 0.71
F10 P00742 1/20 0.71
PLG P00747 1/20 0.71
S100B P04271 1/20 0.71
CHRM2 P08172 1/20 0.71
CHRM4 P08173 1/20 0.71
CHRM5 P08912 1/20 0.71
ADRA2A P08913 1/20 0.71
CYP2D6 P10635 1/20 0.71
AOC1 P19801 1/20 0.71
MAOA P21397 1/20 0.71

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
Pentamidine SCHEMBL9701170 0.89 PRMT1 (0.77) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL13319115 0.86 PRSS1 (0.59) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL14599534 0.84 F2 (0.71) F2ST14PRSS1
Hexamidine SCHEMBL144738 0.84 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL10554981 0.84 HRH3 (0.69) DRD3KCNH2HRH3
Pentamidine SCHEMBL3329 0.84 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL10556391 0.84 HRH3 (0.69) DRD3KCNH2HRH3
SCHEMBL9570561 0.84 HRH3 (0.69) DRD3KCNH2HRH3
SCHEMBL5390369 0.84 HRH3 (0.69) DRD3KCNH2HRH3
SCHEMBL14599639 0.84 PRMT1 (1.00) PRMT1F2ST14TMPRSS2PLAU

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-20200040040-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION NOVARTIS (CH) 2020-02-06 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-20200040040-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION MRPL21, CHLSN, MAX PRMT1 3841/4885F2 3642/4885ST14 2751/4885

“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.