SCHEMBL3073776

SCHEMBL3073776

CCN=C(c1cccnc1)N(O)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 2/20 0.45
GFER P55789 2/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL3078037 0.80 ATM (0.39) NPSR1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL12853918 0.76 HTT (0.63) NPSR1MAPTGFERHTTSMN1; SMN2
SCHEMBL5056593 0.75 CYP3A4 (0.54) CYP2C19CYP3A4MAPTHTTALDH1A1
SCHEMBL22281477 0.75 CYP3A4 (0.54) CYP2C19CYP3A4MAPTHTTALDH1A1
SCHEMBL3073777 0.74 ALDH1A1 (0.51) CYP2C19CYP3A4NPSR1MAPTGFER
SCHEMBL20273673 0.73 CYP3A4 (0.43) CYP2C19CYP3A4NPSR1MAPTGFER
SCHEMBL22047112 0.70 MAPT (0.43) CYP2C19CYP3A4NPSR1MAPTGFER
SCHEMBL19305856 0.69 LMNA (0.54) MAPTSMN1; SMN2KDM4ELMNAPKM
SCHEMBL6763359 0.67 ALDH1A1 (0.54) NPSR1MAPTGFERHTTALDH1A1
Nikethamide SCHEMBL246456 0.67 HTT (0.65) NPSR1MAPTGFERHTTSMN1; 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 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 CYP2C19 1717/4885CYP3A4 2351/4885NPSR1 3586/4885
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 CYP2C19 1527/4885CYP3A4 2236/4885NPSR1 3370/4885

“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.