SCHEMBL17430204

SCHEMBL17430204

O=[N+]([O-])c1ccc2nc(-c3cnc([N+](=O)[O-])c(O)c3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ EIF4A1 P60842 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38
▸ ESR1 P03372 1/20 0.38

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
SCHEMBL17430205 0.82 PDGFRB (0.51) ALDH1A1NPC1RAB9ANPBWR1PDGFRB
Ammonia Solution, Strong SCHEMBL483984 0.78 TTR (0.45) TTRALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL3207284 0.76 ELANE (0.58) ELANEALDH1A1NPC1RAB9AEIF4A1
SCHEMBL483983 0.75 MAPT (0.52) TTRALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL2084891 0.72 TTR (0.53) TTRALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL26613519 0.70 ABCG2 (0.47) TTRELANEALDH1A1HTR3EHTR3B
SCHEMBL29746264 0.70 ABCG2 (0.47) TTRELANEALDH1A1HTR3EHTR3B
SCHEMBL9164886 0.70 ESR1 (0.55) ELANEALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8159664 0.69 CRHBP (0.53) RAB9AMAPT
SCHEMBL11150396 0.69 TXNRD1 (0.49) TTRALDH1A1CYP1A2CYP3A4TXNRD1

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 TTR 40/4885ELANE 4092/4885ALDH1A1 4124/4885
US-20160271278-A1 TAU IMAGING PROBE MAPT, APP, APBA1 TTR 40/4885ELANE 4092/4885ALDH1A1 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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