SCHEMBL3072529

SCHEMBL3072529

O=C(NOCCCN1CCCCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
RHOC P08134 1/20 0.48
RHOA P61586 1/20 0.48
TRPV4 Q9HBA0 2/20 0.48
EPHX2 P34913 3/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL8480094 0.87 HRH3 (0.48) HRH3POLBLMNAHPGDHTR2A
Hydrochloric Acid SCHEMBL3077447 0.86 HRH3 (0.48) HRH3POLBLMNAHPGDHTR2A
SCHEMBL5459116 0.83 EPHX2 (0.61) HRH3POLBLMNAHPGDEPHX2
Hydrochloric Acid SCHEMBL8790189 0.81 ALDH1A1 (0.56) HRH3HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7490250 0.78 HRH3 (0.49) HRH3POLBLMNAHPGDHTR2A
SCHEMBL27468854 0.78 HRH3 (0.46) HRH3POLBLMNAHPGDLTA4H
Hydrochloric Acid SCHEMBL3077451 0.77 HRH3 (0.46) HRH3POLBLMNAHPGDLTA4H
SCHEMBL17180899 0.76 NPSR1 (0.52) POLBLMNANPSR1HDAC3HDAC4
Hydrochloric Acid SCHEMBL8482881 0.75 HRH3 (0.46) HRH3POLBLMNAHPGDLTA4H
SCHEMBL1972781 0.74 ALDH1A1 (0.63) POLBLMNANPSR1HDAC3HDAC1

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 9 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
CN-1152871-C Hydroxylamine derivatives for enhancing the production of molecular chaperones and preparation thereof �ݰ��п�˹�о���չ��˾ 2004-06-09 CN 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
CN-1177351-A Hydroxylamine derivatives for enhancing the production of molecular chaperones and preparation thereof BIOREX KUTAO RESEARCH & DEV CO (HU) 1998-03-25 CN 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 HRH3 948/4885POLB 2190/4885LMNA 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 HRH3 1348/4885POLB 1900/4885LMNA 3687/4885
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 HRH3 1348/4885POLB 1900/4885LMNA 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.