Sugi Predict

Sugi Predict / Compounds / SCHEMBL10199951

SCHEMBL10199951

SCHEMBL10199951

CN(NC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ HTT P42858 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ AKT1 P31749 3/20 0.43
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 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
SCHEMBL18657091 0.79 KMT2A (0.42) NPSR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL18657090 0.79 KMT2A (0.42) NPSR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL6671813 0.79 NPSR1 (0.44) NPSR1ALDH1A1HTTPOLBMAPT
SCHEMBL12060874 0.79 AKT1 (0.48) HTTPOLBAKT1MEN1KMT2A
SCHEMBL28293275 0.77 NPSR1 (0.46) NPSR1ALDH1A1HTTMAPTMEN1
SCHEMBL6929857 0.76 NPSR1 (0.44) NPSR1ALDH1A1HTTMAPTKMT2A
SCHEMBL5340024 0.76 ALDH1A1 (0.44) NPSR1ALDH1A1HTTMAPTKMT2A
SCHEMBL3345978 0.75 CKS1B (0.41) NPSR1ALDH1A1HTTMAPTKMT2A
SCHEMBL4703640 0.75 PPARA (0.46) ALDH1A1CTSLCTSBCTSS
SCHEMBL4703637 0.75 PPARA (0.46) ALDH1A1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974779-B2 Piperidine derivatives as human papilloma virus inhibitors VAXART, INC. (US) 2018-05-22 — — US disclosed
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS VAXART, INC. 2018-01-25 — — US disclosed
US-20170079968-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS AVIRAGEN THERAPEUTICS INC (US) 2017-03-23 — — US disclosed
US-9452991-B2 Piperidine derivatives as human papilloma virus inhibitors AVIRAGEN THERAPEUTICS, INC. (US) 2016-09-27 — — US disclosed
US-8207373-B2 Benzoic acid derivatives as human papilloma virus inhibitors ANACONDA PHARMA (FR) 2012-06-26 — — US disclosed
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA 2009-08-20 — — 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-20170079968-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 NPSR1 4620/4885ALDH1A1 452/4885HTT 3726/4885
US-20180021318-A9 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS POLI, VHL, EBNA1BP2 NPSR1 4620/4885ALDH1A1 452/4885HTT 3726/4885
US-20090209586-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS IDH3A, IDH1, CBR3 NPSR1 1905/4885ALDH1A1 123/4885HTT 769/4885

“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.