SCHEMBL3073777

SCHEMBL3073777

CCN(CC)C(=NO)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 2/20 0.47
GFER P55789 2/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.46
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP19A1 P11511 1/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 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
SCHEMBL11068336 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ELMNANPSR1MAPT
SCHEMBL27320861 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ELMNANPSR1MAPT
SCHEMBL11621019 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ELMNANPSR1MAPT
Nikethamide SCHEMBL29754232 0.76 HTT (0.65) ALDH1A1KDM4ELMNANPSR1MAPT
SCHEMBL6763359 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ELMNANPSR1MAPT
Nikethamide SCHEMBL246456 0.76 HTT (0.65) ALDH1A1KDM4ELMNANPSR1MAPT
SCHEMBL10341783 0.75 CYP3A4 (0.44) ALDH1A1KDM4ELMNANPSR1MAPT
Nikethamide SCHEMBL2477607 0.75 HTT (0.63) ALDH1A1KDM4ELMNANPSR1MAPT
Hydrochloric Acid SCHEMBL6764090 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ELMNANPSR1MAPT
Nikethamide SCHEMBL28425770 0.75 HTT (0.63) ALDH1A1KDM4ELMNANPSR1MAPT

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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF CYTRX CORPORATION (US) 2010-10-21 US disclosed
US-7745465-B2 Method of enhancing cellular production of molecular chaperone, hydroxylamine derivatives useful for enhancing the chaperone production and the preparation thereof CYTRX CORPORATION (US) 2010-06-29 US disclosed
US-7148239-B2 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof CYTRX CORPORATION (US) 2006-12-12 US disclosed
US-20040019103-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof BIOREX RESEARCH & DEVELOPMENT CO. 2004-01-29 US disclosed
US-6653326-B1 For example, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-3-pyridinecarboximidoyl chloride maleate; inducing gene expression of an eukaryotic cell under physiological stress; antiallergens; autoimmune diseases; cardiovascular disorders BIOREX RESEARCH & DEVELOPMENT CO. (HU) 2003-11-25 US disclosed
EP-0801649-B1 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF BIOREX KUTATO FEJLESZTOE KFT (HU) 2002-08-07 EP 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 (2 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-20100267711-A1 METHOD OF ENHANCING CELLULAR PRODUCTION OF MOLECULAR CHAPERONE, HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE CHAPERONE PRODUCTION AND THE PREPARATION THEREOF HSPE1, HSF1, HSP90AB2P ALDH1A1 533/4885KDM4E 3328/4885LMNA 3706/4885
US-20040019103-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof HSPE1, HSF1, HSPA1A ALDH1A1 641/4885KDM4E 3243/4885LMNA 3687/4885

“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.