SCHEMBL3066151

SCHEMBL3066151

NC(=NOCC(CN1CCCCC1)OC(=O)c1ccco1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.38

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
SCHEMBL3074056 0.88 LMNA (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3074128 0.83 ALDH1A1 (0.41) KMT2AMEN1POLBPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL3070319 0.83 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3070494 0.83 RAB9A (0.56) KMT2AMEN1POLBPKMSMN1; SMN2
SCHEMBL3066148 0.82 KMT2A (0.42) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3065835 0.81 TBXA2R (0.43) KMT2AMEN1POLBPKMALDH1A1
SCHEMBL5698982 0.79 GAA (0.47) KMT2AALDH1A1LMNAKDM4ERAB9A
Hydrochloric Acid SCHEMBL3066123 0.79 GAA (0.48) KMT2AALDH1A1LMNAKDM4ERAB9A
Bgp-15 SCHEMBL3073374 0.78 HSF1 (0.46) ALDH1A1LMNAATMCYP2D6CYP2C19
Bgp-15 SCHEMBL12998977 0.78 HSF1 (0.46) ALDH1A1LMNAATMCYP2D6CYP2C19

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 KMT2A 3924/4885MEN1 4335/4885POLB 2190/4885
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 KMT2A 3889/4885MEN1 4141/4885POLB 1900/4885
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 KMT2A 3889/4885MEN1 4141/4885POLB 1900/4885

“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.