SCHEMBL3069246

SCHEMBL3069246

CC(C)(C)/N=C(\NO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
IDO1 P14902 1/20 0.40
ALOX15 P16050 1/20 0.40
CA9 Q16790 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL3069249 1.00 GAA (0.44) GAAHDAC1HDAC3HDAC7HDAC2
SCHEMBL7615367 0.82 CYP2C9 (0.43) GAASIGMAR1ESRRGTSHRMAPT
SCHEMBL7615365 0.82 CYP2C9 (0.43) GAASIGMAR1ESRRGTSHRMAPT
SCHEMBL25575375 0.74 GAA (0.47) GAAHSD17B10ALOX15SIGMAR1ESRRG
SCHEMBL134570 0.73 IDO1 (0.46) GAAHDAC1HDAC3HDAC7HDAC2
SCHEMBL10298145 0.73 ALDH1A1 (0.41) GAAHSD17B10SIGMAR1TSHRMAPT
SCHEMBL30762076 0.73 ALDH1A1 (0.41) GAAHSD17B10SIGMAR1TSHRMAPT
SCHEMBL3942966 0.73 IDO1 (0.46) GAAHDAC1HDAC3HDAC7HDAC2
SCHEMBL3560645 0.71 IDO1 (0.44) GAAHDAC1HDAC3HDAC7HDAC2
SCHEMBL6745833 0.71 IDO1 (0.44) GAAHDAC1HDAC3HDAC7HDAC2

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 7 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-20040067940-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. 2004-04-08 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 (3 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 GAA 380/4885HDAC1 2785/4885HDAC3 3851/4885
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 GAA 544/4885HDAC1 2911/4885HDAC3 3890/4885
US-20040067940-A1 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof HSPE1, HSF1, HSPA1A GAA 544/4885HDAC1 2911/4885HDAC3 3890/4885

“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.