SCHEMBL3069491

SCHEMBL3069491

OC(CON=C(Cl)c1cnc2ccccc2c1)CN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 16/20 0.62
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3069489 1.00 HSF1 (0.62) HSF1CYP2D6TSHRHIF1AACE2
Hydrochloric Acid SCHEMBL7482779 0.87 HSF1 (0.51) HSF1CYP2D6TSHRHIF1AACE2
SCHEMBL6009203 0.81 HSF1 (0.65) HSF1CYP2D6TSHRHIF1AKDM4E
SCHEMBL6009202 0.81 HSF1 (0.65) HSF1CYP2D6TSHRHIF1AKDM4E
SCHEMBL30237520 0.81 HSF1 (0.54) HSF1CYP2D6TSHR
Hydrochloric Acid SCHEMBL3076169 0.80 HSF1 (0.64) HSF1CYP2D6TSHRHIF1AKDM4E
Hydrochloric Acid SCHEMBL3076170 0.80 HSF1 (0.64) HSF1CYP2D6TSHRHIF1AKDM4E
Bimoclomol SCHEMBL19463989 0.80 HSF1 (0.56) HSF1CYP2D6TSHRHIF1AACE2
Bimoclomol SCHEMBL19463987 0.80 HSF1 (0.56) HSF1CYP2D6TSHRHIF1AACE2
Bimoclomol SCHEMBL19464203 0.80 HSF1 (0.56) HSF1CYP2D6TSHRHIF1AACE2

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 HSF1 2/4885CYP2D6 525/4885TSHR 3474/4885
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 2/4885CYP2D6 334/4885TSHR 3511/4885
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 2/4885CYP2D6 334/4885TSHR 3511/4885

“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.