SCHEMBL17320670

SCHEMBL17320670

N#CCC(=O)NC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
CTSL P07711 4/20 0.44
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
HDAC1 Q13547 2/20 0.39
MAPK1 P28482 2/20 0.38
CTSK P43235 1/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 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
SCHEMBL18675554 0.85 HSD17B10 (0.62) HSD17B10CTSLCTSBCTSSCTSK
SCHEMBL18675568 0.84 HSD17B10 (0.45) HSD17B10CTSLCTSBCTSSHDAC1
SCHEMBL17321816 0.76 IDO1 (0.47) HSD17B10CTSLCTSBCTSSHDAC1
SCHEMBL18681903 0.76 HSD17B10 (0.48) HSD17B10CTSLCTSBCTSSHDAC1
SCHEMBL17321362 0.76 NPSR1 (0.47) HSD17B10CTSLCTSBCTSSALDH1A1
SCHEMBL17320671 0.76 HSD17B10 (0.38) HSD17B10MAPK1ALDH1A1LMNAPOLB
SCHEMBL20898401 0.75 FPR3 (0.40) HDAC1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL23497190 0.74 HDAC1 (0.42) CTSLCTSBCTSSHDAC1MAPK1
SCHEMBL5738000 0.74 SMN1; SMN2 (0.47) HDAC1MAPK1ALDH1A1POLBSMN1; SMN2
SCHEMBL19463393 0.74 HDAC1 (0.42) CTSLCTSBCTSSHDAC1MAPK1

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-20170088520-A1 DEUBIQUITINASE INHIBITORS PHARMAKEA, INC. 2017-03-30 US disclosed
WO-2015187427-A1 DEUBIQUITINASE INHIBITORS PHARMAKEA, INC. (US) 2015-12-10 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 (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-20170088520-A1 DEUBIQUITINASE INHIBITORS USP30, USP1, USP28 HSD17B10 2097/4885CTSL 930/4885CTSB 321/4885

“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.