SCHEMBL14877354

SCHEMBL14877354

NOC(=O)c1cc(N2CCCCC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.46
▸ HRH4 Q9H3N8 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.42
▸ ELOVL1 Q9BW60 1/20 0.41
▸ IP6K1 Q92551 1/20 0.40
▸ TP53BP1 Q12888 3/20 0.40
▸ CHKA P35790 1/20 0.40
▸ ABL1 P00519 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL14882601 0.83 USP30 (0.47) USP30HRH4MAPTPKMHTT
SCHEMBL30489430 0.83 USP30 (0.47) USP30HRH4MAPTPKMHTT
SCHEMBL10098376 0.81 KDM4E (0.50) USP30HRH4MAPTPKMHTT
Hydrochloric Acid SCHEMBL14876289 0.80 KDM4E (0.49) USP30HRH4MAPTPKMHTT
SCHEMBL2539328 0.80 NPC1 (0.48) USP30HRH4MAPTPKMHTT
SCHEMBL2533014 0.80 ALDH1A1 (0.51) USP30HRH4MAPTPKMHTT
SCHEMBL14882630 0.78 USP30 (0.52) USP30HRH4MAPTPKMHTT
SCHEMBL18135111 0.77 HRH4 (0.48) USP30HRH4MAPTPKMHTT
SCHEMBL18135099 0.77 NFKB1 (0.51) USP30HRH4MAPTPKMHTT
SCHEMBL14882832 0.75 HRH4 (0.47) USP30HRH4MAPTPKMHTT

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-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 — — US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — US disclosed
EP-2794616-B1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-06-29 — — EP disclosed
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 — — 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 (3 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-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT USP30 3482/4885HRH4 2709/4885MAPT 28/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH USP30 2148/4885HRH4 1215/4885MAPT 79/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT USP30 2401/4885HRH4 988/4885MAPT 54/4885

“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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