SCHEMBL3060503

SCHEMBL3060503

OC(CON=C(Cl)c1ccncc1)CN1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 15/20 0.60
ATM Q13315 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3060495 1.00 HSF1 (0.60) HSF1ATMCYP2D6CYP2C19TSHR
Fumaric Acid SCHEMBL7491591 0.91 HSF1 (0.52) HSF1
Fumaric Acid SCHEMBL5698927 0.91 HSF1 (0.52) HSF1
SCHEMBL6009202 0.87 HSF1 (0.65) HSF1CYP2D6TSHRHIF1AKDM4E
SCHEMBL6009203 0.87 HSF1 (0.65) HSF1CYP2D6TSHRHIF1AKDM4E
Hydrochloric Acid SCHEMBL3076170 0.86 HSF1 (0.64) HSF1CYP2D6CYP2C19TSHRHIF1A
Hydrochloric Acid SCHEMBL3076169 0.86 HSF1 (0.64) HSF1CYP2D6CYP2C19TSHRHIF1A
Bimoclomol SCHEMBL19464202 0.86 HSF1 (0.56) HSF1ATMCYP2D6CYP2C19TSHR
Bimoclomol SCHEMBL19463987 0.86 HSF1 (0.56) HSF1ATMCYP2D6CYP2C19TSHR
Bimoclomol SCHEMBL19463989 0.86 HSF1 (0.56) HSF1ATMCYP2D6CYP2C19TSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966283-B1 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING DISEASES RESULTING FROM THE DAMAGING OF THE VASCULAR ENDOTHELIAL CELLS CYTRX CORP (US) 2006-06-14 EP claimed
US-6143741-A TREATING OR PREVENTING ILLNESSES RESULTING FROM DAMAGED ENDOTHELIAL CELLS SUCH AS ATHEROSCLEROSIS, THROMBOSIS, RESTENOSIS, VESSEL SPASM BY ADMINISTERING HYDROXYLAMINE DERIVATIVE BIOREX Kutato es Fejleszo Rt. (HU) 2000-11-07 US claimed
EP-0966283-A2 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING ILLNESSES CONNECTED WITH THE MALFUNCTION OF VASCULAR ENDOTHELIAL CELLS BIOREX RT. (HU) 1999-12-29 EP claimed
WO-1998006400-A2 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING ILLNESSES CONNECTED WITH THE MALFUNCTION OF VASCULAR ENDOTHELIAL CELLS BIOREX KUTATÓ ÉS FEJLESZTO^' RT. (HU) 1998-02-19 WO claimed
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
EP-0966283-B1 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING DISEASES RESULTING FROM THE DAMAGING OF THE VASCULAR ENDOTHELIAL CELLS CYTRX CORP (US) 2006-06-14 EP 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
US-6143741-A TREATING OR PREVENTING ILLNESSES RESULTING FROM DAMAGED ENDOTHELIAL CELLS SUCH AS ATHEROSCLEROSIS, THROMBOSIS, RESTENOSIS, VESSEL SPASM BY ADMINISTERING HYDROXYLAMINE DERIVATIVE BIOREX Kutato es Fejleszo Rt. (HU) 2000-11-07 US disclosed
EP-0966283-A2 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING ILLNESSES CONNECTED WITH THE MALFUNCTION OF VASCULAR ENDOTHELIAL CELLS BIOREX RT. (HU) 1999-12-29 EP disclosed
WO-1998006400-A2 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING ILLNESSES CONNECTED WITH THE MALFUNCTION OF VASCULAR ENDOTHELIAL CELLS BIOREX KUTATÓ ÉS FEJLESZTO^' RT. (HU) 1998-02-19 WO disclosed
EP-0801649-A2 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-10-22 EP disclosed
WO-1997016439-A1 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF Biorex Kutató és Fejlesztó Rt. (HU) 1997-05-09 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 (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 HSF1 2/4885ATM 3403/4885CYP2D6 525/4885
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 HSF1 2/4885ATM 3134/4885CYP2D6 334/4885
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 HSF1 2/4885ATM 3134/4885CYP2D6 334/4885

“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.