SCHEMBL17430205

SCHEMBL17430205

COc1cc(-c2ccc3cc([N+](=O)[O-])ccc3n2)cnc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.51
▸ PDGFRA P16234 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ HTT P42858 2/20 0.41
▸ AMY1A P0DUB6 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALPL P05186 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ STAT1 P42224 1/20 0.39

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
SCHEMBL17430204 0.82 TTR (0.42) PDGFRBPDGFRAALDH1A1RAB9ANPC1
Ammonia Solution, Strong SCHEMBL483984 0.77 TTR (0.45) PDGFRBPDGFRAALDH1A1RAB9ANPC1
SCHEMBL17430203 0.77 MAOB (0.36) PDGFRBPDGFRAMAPT
SCHEMBL483983 0.75 MAPT (0.52) PDGFRBPDGFRAALDH1A1RAB9ANPC1
SCHEMBL3207284 0.73 ELANE (0.58) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL31444791 0.71 HTT (0.58) PDGFRBPDGFRAALDH1A1RAB9ANPC1
SCHEMBL31444630 0.71 ALDH1A1 (0.51) PDGFRBPDGFRAALDH1A1RAB9ANPC1
SCHEMBL20660884 0.69 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL2230214 0.69 TLR8 (0.54) PDGFRBPDGFRAALDH1A1RAB9ANPC1
SCHEMBL27200603 0.68 MAPT (0.50) ALDH1A1RAB9ANPC1HTTAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701637-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2017-07-11 — — US disclosed
US-9701637-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2017-07-11 — — US disclosed
US-9452985-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2016-09-27 — — US disclosed
US-9452985-B2 Tau imaging probe GE HEALTHCARE LIMITED (GB) 2016-09-27 — — US disclosed
US-20160271278-A1 TAU IMAGING PROBE GE HEALTHCARE LTD (GB) 2016-09-22 — — US disclosed
US-20160271278-A1 TAU IMAGING PROBE GE HEALTHCARE LTD (GB) 2016-09-22 — — US disclosed
US-9249101-B2 Tau imaging probe CLINO LTD. (JP) 2016-02-02 — — US disclosed
US-9249101-B2 Tau imaging probe CLINO LTD. (JP) 2016-02-02 — — US disclosed
US-20160008494-A1 TAU IMAGING PROBE GE HEALTHCARE LIMITED (GB) 2016-01-14 — — US disclosed
US-20160008494-A1 TAU IMAGING PROBE GE HEALTHCARE LIMITED (GB) 2016-01-14 — — 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 (2 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-20160008494-A1 TAU IMAGING PROBE MAPT, APP, APBA1 PDGFRB 2845/4885PDGFRA 3537/4885ALDH1A1 4124/4885
US-20160271278-A1 TAU IMAGING PROBE MAPT, APP, APBA1 PDGFRB 2845/4885PDGFRA 3537/4885ALDH1A1 4124/4885

“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.

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