SCHEMBL3068655

SCHEMBL3068655

COc1cccc(C=C[N+](=O)[O-])c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.74
TLR4 O00206 1/20 0.54
TLR2 O60603 1/20 0.54
ALDH1A1 P00352 6/20 0.52
LMNA P02545 5/20 0.52
MAPT P10636 4/20 0.52
MAPK1 P28482 3/20 0.52
HTT P42858 2/20 0.52
HSP90AA1 P07900 2/20 0.52
MITF O75030 1/20 0.52
VCP P55072 4/20 0.51
FBP1 P09467 8/20 0.50
NPSR1 Q6W5P4 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
S1PR4 O95977 1/20 0.50
ITGA4 P13612 1/20 0.50
S1PR1 P21453 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL3068651 1.00 PRMT1 (0.74) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL27394119 0.86 PRMT1 (0.73) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL793032 0.86 PRMT1 (0.73) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL793033 0.86 PRMT1 (0.73) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL1011167 0.85 PRMT1 (1.00) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL1011169 0.85 PRMT1 (1.00) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL10466720 0.85 PRMT1 (0.72) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL10466719 0.85 PRMT1 (0.72) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL8321670 0.84 PRMT1 (0.70) PRMT1TLR4TLR2ALDH1A1LMNA
SCHEMBL8321676 0.84 PRMT1 (0.70) PRMT1TLR4TLR2ALDH1A1LMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155344-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-07 US disclosed
EP-3292127-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2018-03-14 EP disclosed
WO-2016177690-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-10 WO disclosed
EP-2746254-A2 Oxadiazole derivative active on sphingosine-1-phosphate (s1p) Glaxo Group Limited (GB) 2014-06-25 EP disclosed
EP-2225233-B1 OXADIAZOLE DERIVATIVE ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LTD (GB) 2013-09-04 EP disclosed
US-8278324-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2225233-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) Glaxo Group Limited (GB) 2010-09-08 EP disclosed
EP-2222671-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 US disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080728-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 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 (4 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-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) S1PR3, S1PR1, S1PR2 PRMT1 2901/4885TLR4 1236/4885TLR2 1716/4885
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 PRMT1 3441/4885TLR4 1679/4885TLR2 1999/4885
US-20180155344-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, TPH2, HTR1B PRMT1 238/4885TLR4 3348/4885TLR2 2774/4885
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) S1PR3, S1PR1, S1PR2 PRMT1 2988/4885TLR4 1210/4885TLR2 1544/4885

“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.