SCHEMBL3076619

SCHEMBL3076619

CC(C)(C)NC(=O)NOCC(O)CN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCB1 P08183 9/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL7526130 0.84 ABCB1 (0.49) ALDH1A1ABCB1MEN1KMT2AATM
SCHEMBL7530991 0.83 ABCB1 (0.48) ALDH1A1ABCB1MEN1KMT2AATM
SCHEMBL3055428 0.80 ABCB1 (0.45) ALDH1A1ABCB1MEN1KMT2AATM
SCHEMBL5698940 0.79 MEN1 (0.52) ABCB1MEN1KMT2AATMCYP2D6
SCHEMBL6631200 0.79 ABCB1 (0.44) ALDH1A1ABCB1MEN1KMT2AATM
SCHEMBL6745840 0.77 MEN1 (0.48) SMN1; SMN2ABCB1MEN1KMT2AATM
SCHEMBL3069255 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ABCB1MEN1KMT2A
SCHEMBL7525000 0.76 KDM4E (0.46) ALDH1A1ABCB1MEN1KMT2AL3MBTL1
SCHEMBL7533440 0.76 KDM4E (0.48) ALDH1A1ABCB1L3MBTL1KDM4E
SCHEMBL3071012 0.76 KDM4E (0.48) ALDH1A1ABCB1L3MBTL1KDM4E

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 10 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
EP-0832079-B1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO FEJLESZTOE KFT (HU) 2002-03-27 EP disclosed
US-6002002-A Anti-ischaemic hydroxylamine derivatives and pharmaceutical compositions BIOREX RESEARCH & DEVELOPMENT CO. (HU) 1999-12-14 US disclosed
EP-0832079-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1998-04-01 EP disclosed
WO-1997000251-A1 ANTI-ISCHAEMIC HYDROXYLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1997-01-03 WO 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 533/4885SMN1; SMN2 3681/4885ABCB1 1278/4885
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 641/4885SMN1; SMN2 3516/4885ABCB1 1560/4885

“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.