SCHEMBL6809450

SCHEMBL6809450

O=C(CC[C@@H](CCO)c1ccc(-c2nc3ccccc3o2)cc1)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.48
NPC1 O15118 5/20 0.48
KDM4E B2RXH2 5/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MEN1 O00255 3/20 0.46

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
SCHEMBL6809455 1.00 HSD17B10 (0.48) HSD17B10NPC1KDM4ERAB9AALDH1A1
SCHEMBL6138395 0.82 HDAC1 (0.54) HSD17B10NPC1KDM4ERAB9AALDH1A1
SCHEMBL6138770 0.82 HDAC1 (0.54) HSD17B10NPC1KDM4ERAB9AALDH1A1
SCHEMBL6139026 0.82 HDAC1 (0.54) HSD17B10NPC1KDM4ERAB9AALDH1A1
SCHEMBL6773744 0.75 HDAC8 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL6812978 0.72 HDAC2 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL6812985 0.72 HDAC2 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL31472970 0.72 HDAC6 (0.71) HSD17B10NPC1KDM4ERAB9AALDH1A1
SCHEMBL28918927 0.72 HDAC6 (0.71) HSD17B10NPC1KDM4ERAB9AALDH1A1
SCHEMBL24250386 0.71 NPC1 (0.59) HSD17B10NPC1KDM4ERAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-10-28 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 (1 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-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient HIF1AN, IL6, PYGM HSD17B10 522/4885NPC1 4756/4885KDM4E 225/4885

“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.