SCHEMBL3073558

SCHEMBL3073558

O=C(NOCC(O)CN1CCCCC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.60
MAPK1 P28482 1/20 0.58
TSHR P16473 2/20 0.57
CYP2D6 P10635 1/20 0.57
HIF1A Q16665 1/20 0.57
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Hydrochloric Acid SCHEMBL9329212 0.99 ABCB1 (0.59) ABCB1MAPK1TSHRCYP2D6HIF1A
Hydrochloric Acid SCHEMBL7226297 0.99 ABCB1 (0.59) ABCB1MAPK1TSHRCYP2D6HIF1A
Bromide SCHEMBL9327702 0.97 ABCB1 (0.58) ABCB1MAPK1TSHRCYP2D6HIF1A
SCHEMBL25847563 0.87 ABCB1 (0.50) ABCB1MAPK1TSHRCYP2D6HIF1A
Hydrochloric Acid SCHEMBL9327623 0.85 ALDH1A1 (0.47) ABCB1MAPK1CYP2D6RAB9A
Hydrochloric Acid SCHEMBL28351303 0.85 PRMT5 (0.48) ABCB1MAPK1CYP2D6RAB9A
SCHEMBL5698929 0.84 ABCB1 (0.57) ABCB1MAPK1TSHRCYP2D6HIF1A
SCHEMBL3572645 0.84 ABCB1 (0.47) ABCB1MAPK1TSHRCYP2D6HIF1A
Hydrochloric Acid SCHEMBL28996182 0.83 ABCB1 (0.47) ABCB1MAPK1TSHRCYP2D6HIF1A
SCHEMBL7523557 0.82 POLB (0.55) ABCB1MAPK1TSHRCYP2D6HIF1A

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 5 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

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 ABCB1 1278/4885MAPK1 3049/4885TSHR 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 ABCB1 1560/4885MAPK1 2869/4885TSHR 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 ABCB1 1560/4885MAPK1 2869/4885TSHR 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.