Sugi Predict

Sugi Predict / Compounds / SCHEMBL6210201

SCHEMBL6210201

SCHEMBL6210201

O=Cc1ccccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SOS1 Q07889 1/20 0.51
▸ MAPT P10636 4/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ S100A4 P26447 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ BLM P54132 1/20 0.44
▸ PTPRC P08575 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL9630841 0.86 ERN1 (0.56) ERN1TDP1ALDH1A1SOS1MAPT
2-Nitrobenzaldehyde SCHEMBL29672618 0.84 ERN1 (0.66) ERN1TDP1ALDH1A1SOS1MAPT
2-Nitrobenzaldehyde SCHEMBL5654 0.84 ERN1 (0.66) ERN1TDP1ALDH1A1SOS1MAPT
SCHEMBL30535903 0.83 ALDH1A1 (0.74) TDP1ALDH1A1PTPN1S100A4MEN1
SCHEMBL1287837 0.83 ALDH1A1 (0.74) TDP1ALDH1A1PTPN1S100A4MEN1
SCHEMBL29029891 0.83 SOS1 (0.54) ERN1TDP1ALDH1A1SOS1MAPT
SCHEMBL23861136 0.82 ERN1 (0.49) ERN1TDP1ALDH1A1SOS1MAPT
2-Nitrobenzaldehyde SCHEMBL28981617 0.82 ERN1 (0.63) ERN1TDP1ALDH1A1SOS1MAPT
2-Nitrobenzaldehyde SCHEMBL28865451 0.82 ERN1 (0.63) ERN1TDP1SOS1MAPTMEN1
2-Nitrobenzaldehyde SCHEMBL9323445 0.82 ERN1 (0.63) ERN1TDP1ALDH1A1SOS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432058-A Preparation method of Niraparib intermediate 4-(3S-piperidine-3-yl)aniline 青岛云天生物技术有限公司 2017-02-22 — — CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 — — US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 — — EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 — — WO disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 — — 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 (1 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 ERN1 3176/4885TDP1 3188/4885ALDH1A1 14/4885

“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.