SCHEMBL6798017

SCHEMBL6798017

NC(=O)NC(=O)[CH]Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.49
LOXL2 Q9Y4K0 1/20 0.46
TSHR P16473 2/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.44
MAPK8 P45983 1/20 0.44
TGM2 P21980 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7365531 0.79 ALDH1A1 (0.44) IDO1LOXL2TSHRMAPTMEN1
SCHEMBL7358482 0.79 CA2 (0.46) IDO1TSHRMAPTMEN1KMT2A
SCHEMBL3345536 0.77 HTT (0.41) ALDH1A1CYP2C19LMNA
SCHEMBL27777352 0.73 TSHR (0.47) IDO1LOXL2TSHRMAPTMEN1
SCHEMBL6562489 0.73 IDO1 (0.61) IDO1LOXL2TSHRMAPTMEN1
SCHEMBL4410508 0.73 TSHR (0.44) IDO1LOXL2TSHRMAPTALDH1A1
SCHEMBL4587579 0.72 CA2 (0.58) IDO1LOXL2TSHRMEN1KMT2A
SCHEMBL630790 0.72 GLA (0.53) MAPTKMT2AALDH1A1GAACYP2C19
SCHEMBL5396086 0.71 TSHR (0.49) IDO1LOXL2TSHRMAPTMEN1
SCHEMBL27765240 0.71 LOXL2 (0.61) IDO1LOXL2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE IDO1 1029/4885LOXL2 1004/4885TSHR 2863/4885

“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.