SCHEMBL14882832

SCHEMBL14882832

CN(O)C(=O)c1cc(N2CCCCC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.47
▸ USP30 Q70CQ3 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KLF5 Q13887 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.41
▸ TP53BP1 Q12888 2/20 0.39
▸ CHKA P35790 1/20 0.39
▸ IP6K1 Q92551 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 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
SCHEMBL18135111 0.90 HRH4 (0.48) HRH4USP30MAPTNPC1RAB9A
SCHEMBL14882840 0.87 HRH4 (0.49) HRH4TP53BP1MEN1KMT2AGAA
SCHEMBL14882802 0.86 CTSA (0.47) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL10098376 0.80 KDM4E (0.50) HRH4USP30MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL14876289 0.79 KDM4E (0.49) HRH4USP30MAPTNPC1RAB9A
SCHEMBL30489430 0.79 USP30 (0.47) HRH4USP30MAPTNPC1RAB9A
SCHEMBL2533014 0.79 ALDH1A1 (0.51) HRH4USP30MAPTNPC1RAB9A
SCHEMBL18135099 0.78 NFKB1 (0.51) HRH4USP30MAPTNPC1RAB9A
SCHEMBL14876254 0.78 MAPT (0.42) HRH4USP30MAPTNPC1RAB9A
SCHEMBL18135117 0.77 HRH4 (0.50) HRH4TP53BP1MEN1KMT2AGAA

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 7 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
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
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
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
US-20130102601-A1 Pyrimidin-4-one 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
US-20130102601-A1 Pyrimidin-4-one 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 (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-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease TPMT, TYMP, HPRT1 HRH4 2929/4885USP30 4101/4885MAPT 14/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT HRH4 2709/4885USP30 3482/4885MAPT 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 HRH4 1215/4885USP30 2148/4885MAPT 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 HRH4 988/4885USP30 2401/4885MAPT 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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