SCHEMBL6760023

SCHEMBL6760023

N=C(NOCC(CN1CCCCC1)OCc1ccccc1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCB1 P08183 6/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAPK1 P28482 1/20 0.36
MET P08581 1/20 0.36
CYP2D6 P10635 2/20 0.36
HIF1A Q16665 1/20 0.36
DRD4 P21917 1/20 0.35
SLC6A2 P23975 1/20 0.35
CCKAR P32238 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SCN1A P35498 1/20 0.35
OPRK1 P41145 1/20 0.35

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
Maleic Acid SCHEMBL3066099 0.94 LMNA (0.39) RAB9ATSHRHSD17B10LMNAKMT2A
SCHEMBL3562906 0.85 ALDH1A1 (0.45) LMNAKMT2AABCB1CHRNB2CHRNA4
SCHEMBL3074051 0.85 DRD4 (0.44) LMNAKMT2AABCB1MAPK1CYP2D6
Bgp-15 SCHEMBL2325445 0.81 ABCB1 (0.46) TSHRABCB1MAPK1CYP2D6HIF1A
Bgp-15 SCHEMBL29358886 0.81 ABCB1 (0.46) TSHRABCB1MAPK1CYP2D6HIF1A
Maleic Acid SCHEMBL5698937 0.81 DRD4 (0.41) LMNAKMT2AABCB1MAPK1CYP2D6
SCHEMBL3066148 0.81 KMT2A (0.42) RAB9ALMNAKMT2ATDP1ABCB1
Bgp-15 SCHEMBL28351041 0.81 CYP2D6 (0.45) TSHRABCB1MAPK1CYP2D6HIF1A
Bgp-15 SCHEMBL3067994 0.81 CYP2D6 (0.45) TSHRABCB1MAPK1CYP2D6HIF1A
Hydrochloric Acid SCHEMBL3066259 0.80 PIK3CB (0.36) RAB9ALMNAABCB1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 RAB9A 3973/4885TSHR 3511/4885HSD17B10 153/4885
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 RAB9A 3973/4885TSHR 3511/4885HSD17B10 153/4885

“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.