SCHEMBL4655115

SCHEMBL4655115

COc1ccc(NCCCO)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 4/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 2/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL3322371 0.92 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL13832433 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL14110955 0.86 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9499751 0.83 LMNA (0.56) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL29588009 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4535542 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8645160 0.80 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2POLBPKM
SCHEMBL3380429 0.80 EGFR (0.58) ALDH1A1MAPTMAPK1SMN1; SMN2POLB
SCHEMBL8643871 0.80 LMNA (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL109663 0.80 HTT (0.58) ALDH1A1MAPTGAAMAPK1SMN1; SMN2

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
EP-1852414-B1 Process for the preparation of 4-Hydroxyalkylamino-2-nitro-anisoles WELLA AG (DE) 2008-11-26 EP disclosed
US-7405325-B2 Process for the preparation of 4-hydroxalkylamino-2-nitro-anisoles THE PROCTER & GAMBLE COMPANY (US) 2008-07-29 US disclosed
EP-1852414-A1 Process for the preparation of 4-Hydroxyalkylamino-2-nitro-anisoles Wella Aktiengesellschaft (DE) 2007-11-07 EP disclosed
WO-2007122579-A2 PROCESS FOR THE PREPARATION OF 4-HYDROXYALKYLAMINO-2-NITRO-ANISOLES THE PROCTER & GAMBLE COMPANY (US) 2007-11-01 WO disclosed
US-20070249868-A1 New process for the preparation of 4-hydroxalkylamino-2-nitro-anisoles WELLA OPERATIONS US, LLC 2007-10-25 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 (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-20070249868-A1 New process for the preparation of 4-hydroxalkylamino-2-nitro-anisoles HAO2, HCN2, NISCH ALDH1A1 1176/4885MAPT 4743/4885MEN1 3853/4885

“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.