SCHEMBL17541018

SCHEMBL17541018

Cc1cccn2c(N)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP7 Q93009 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL13556610 0.80 HDAC8 (0.43) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL31669620 0.77 KDM4E (0.45) KDM4EALDH1A1NPC1RAB9AHDAC8
SCHEMBL24517982 0.77 KDM4E (0.43) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL23029859 0.77 HDAC8 (0.42) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL22200842 0.77 HDAC8 (0.45) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL23030042 0.77 HDAC8 (0.42) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL17754876 0.75 SSTR4 (0.48) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL23108716 0.74 HDAC8 (0.52) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL23029849 0.74 HDAC8 (0.43) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL23030032 0.74 HDAC8 (0.46) KDM4EALDH1A1GAAHPGDHSD17B10

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-11851446-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2023-12-26 US disclosed
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-09 US disclosed
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US disclosed
EP-3197277-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-08-02 EP disclosed
WO-2016033440-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 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 (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-11851446-B2 Probes for imaging Huntingtin protein HTT, HYPK, HSPBP1 KDM4E 4585/4885ALDH1A1 3976/4885NPC1 163/4885
US-20210380608-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 KDM4E 4585/4885ALDH1A1 3976/4885NPC1 163/4885
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 KDM4E 4585/4885ALDH1A1 3976/4885NPC1 163/4885

“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.