SCHEMBL3069253

SCHEMBL3069253

CC(C)(C)NC(=NO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GFER P55789 1/20 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
SCHEMBL7615367 0.86 CYP2C9 (0.43) GAACYP2C9SMN1; SMN2EPHX1ALDH1A1
SCHEMBL7615365 0.86 CYP2C9 (0.43) GAACYP2C9SMN1; SMN2EPHX1ALDH1A1
SCHEMBL2129128 0.79 ALDH1A1 (0.40) GAASMN1; SMN2ALDH1A1TSHRNPSR1
SCHEMBL13209207 0.76 GAA (0.44) GAASMN1; SMN2ALDH1A1TSHRNPSR1
SCHEMBL12116657 0.76 GAA (0.44) GAASMN1; SMN2ALDH1A1TSHRNPSR1
SCHEMBL3773521 0.76 GAA (0.44) GAASMN1; SMN2ALDH1A1TSHRNPSR1
SCHEMBL2154163 0.73 SMN1; SMN2 (0.56) GAACYP2C9SMN1; SMN2EPHX1TSHR
SCHEMBL2154158 0.73 SMN1; SMN2 (0.56) GAACYP2C9SMN1; SMN2EPHX1TSHR
SCHEMBL3942966 0.73 IDO1 (0.46) GAASMN1; SMN2ALDH1A1TSHRNPSR1
SCHEMBL7644077 0.73 SMN1; SMN2 (0.50) GAACYP2C9SMN1; SMN2EPHX1ALDH1A1

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 380/4885CYP2C9 1817/4885SMN1; SMN2 3681/4885
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 544/4885CYP2C9 1786/4885SMN1; SMN2 3516/4885
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 544/4885CYP2C9 1786/4885SMN1; SMN2 3516/4885

“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.