SCHEMBL2005108

SCHEMBL2005108

Cc1cccc(Cc2nsc(N3CCNC(C)C3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KHK P50053 2/20 0.38
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
CCR6 P51684 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PIN1 Q13526 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
SCHEMBL2004219 0.88 HTR6 (0.42) HTR6HTR2CHTR2BKHKPOLB
SCHEMBL2006897 0.87 KHK (0.41) HTR6HTR2CHTR2BKHKCNR1
SCHEMBL1019878 0.86 CNR1 (0.42) HTR6HTR2CHTR2BKHKCNR1
SCHEMBL2005739 0.86 HTR6 (0.44) HTR6MAPTPIN1HTR1BADRB1
SCHEMBL2009116 0.85 HTR2C (0.48) HTR6HTR2CHTR2BCNR1MEN1
SCHEMBL4686031 0.83 CNR1 (0.41) HTR6HTR2CHTR2BKHKCNR1
SCHEMBL2014364 0.83 SOS1 (0.39) KHKPIN1MPO
SCHEMBL2004679 0.83 HTR6 (0.38) HTR6HTR2CHTR2BCNR1KMT2A
SCHEMBL4684463 0.82 NMT1 (0.41) HTR6CNR1MEN1KMT2ALMNA
SCHEMBL2005415 0.81 HTR2C (0.45) HTR6HTR2CHTR2BCNR1MEN1

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
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP HTR6 2082/4885HTR2C 1846/4885HTR2B 2061/4885

“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.