SCHEMBL19475595

SCHEMBL19475595

COc1ccc(-c2ccoc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
ERN1 O75460 2/20 0.49
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45

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
SCHEMBL28546991 0.78 PDGFRB (0.57) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL12312144 0.78 PDGFRB (0.57) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL7562427 0.78 ALDH1A1 (0.61) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL1316529 0.78 NR4A2 (0.53) PDGFRBPDGFRAERN1MAPTTDP1
SCHEMBL2751688 0.77 PDE4A (0.53) PDGFRBPDGFRAERN1ALDH1A1SMN1; SMN2
SCHEMBL27989353 0.77 ERN1 (0.52) ERN1ALDH1A1MAPTHTTTDP1
SCHEMBL2650245 0.77 ERN1 (0.52) ERN1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL12312167 0.76 KMT2A (0.58) PDGFRBPDGFRAALDH1A1SMN1; SMN2NPC1
SCHEMBL19475454 0.75 ERN1 (0.50) PDGFRBPDGFRAERN1ALDH1A1SMN1; SMN2
SCHEMBL14713554 0.75 ALDH1A1 (0.62) PDGFRBPDGFRAERN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119284-A1 ErbB Inhibitors and Uses Thereof THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
US-20190119284-A1 ErbB Inhibitors and Uses Thereof THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
WO-2017184775-A1 ERBB INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-26 WO disclosed
WO-2017184775-A1 ERBB INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-26 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-20190119284-A1 ErbB Inhibitors and Uses Thereof ERBB3, ERBB2, EGFR PDGFRB 16/4885PDGFRA 28/4885ERN1 1245/4885

“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.