SCHEMBL3014359

SCHEMBL3014359

COc1ccc(OC)c(Cc2csc(N3CCC(S(=O)(=O)c4ccccc4C#N)CC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KCNH2 Q12809 1/20 0.42
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 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
SCHEMBL3007206 0.94 HTR2A (0.44) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3017613 0.91 DRD2 (0.43) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3003638 0.88 CTSS (0.40) MAPTLMNAPOLBADRB2TSHR
SCHEMBL3016871 0.88 MAPT (0.37) MAPTLMNAPOLBADRB2TSHR
SCHEMBL3010377 0.88 DRD2 (0.41) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3014447 0.87 ALDH1A1 (0.43) MAPTLMNAPOLBADRB2TSHR
SCHEMBL3017560 0.87 DRD2 (0.39) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3014368 0.87 MAPT (0.40) DRD2HTR2AHTR2CKCNH2PKM
SCHEMBL3017955 0.87 PKM (0.52) PKMMAPTLMNATSHRRECQL
SCHEMBL3015476 0.87 DRD2 (0.40) DRD2HTR2AHTR2CKCNH2PKM

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-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA DRD2 573/4885HTR2A 752/4885HTR2C 1153/4885

“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.