SCHEMBL3206870

SCHEMBL3206870

N#CCCNC(=O)c1cccc(-c2cccc3nn(Cc4ccccc4)cc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.63
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA2B P29275 2/20 0.44
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
PRKD1 Q15139 1/20 0.41
KISS1R Q969F8 1/20 0.40
MAPT P10636 1/20 0.40
GUSB P08236 1/20 0.40

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
SCHEMBL1848382 0.93 GPR52 (0.62) GPR52ADORA3ADORA2BADORA2APRKD1
SCHEMBL1850719 0.92 GPR52 (0.61) GPR52HDAC1HDAC6HDAC3HDAC4
SCHEMBL1850771 0.91 GPR52 (0.64) GPR52ADORA3ADORA2BPRKD1KISS1R
SCHEMBL3217756 0.89 GPR52 (0.59) GPR52KISS1RSMYD2DGAT2
SCHEMBL3206470 0.89 GPR52 (0.81) GPR52CDK8
SCHEMBL3217408 0.89 GPR52 (0.61) GPR52ADORA3ADORA2BPRKD1KISS1R
SCHEMBL3206799 0.89 GPR52 (0.78) GPR52HDAC1HDAC6HDAC3HDAC4
SCHEMBL3208468 0.88 GPR52 (0.57) GPR52HDAC1HDAC6HDAC3HDAC4
SCHEMBL1851340 0.88 GPR52 (0.59) GPR52ADORA3ADORA2BADORA2APRKD1
SCHEMBL1857499 0.88 GPR52 (0.56) GPR52SMYD2DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885HDAC1 392/4885HDAC6 1093/4885

“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.