SCHEMBL2009116

SCHEMBL2009116

Cc1cccc(Cc2nsc(N3CCNCC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
ADRB1 P08588 1/20 0.47
HTR6 P50406 7/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
OPRL1 P41146 1/20 0.42
CNR1 P21554 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 3/20 0.38
HTR3A P46098 3/20 0.38
CETP P11597 1/20 0.38
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL2005415 0.95 HTR2C (0.45) HTR2CHTR2BADRB1HTR6CTSB
SCHEMBL2008513 0.85 HTR2C (0.48) HTR2CHTR2BHTR6MEN1KMT2A
SCHEMBL2005108 0.85 HTR6 (0.41) HTR2CHTR2BADRB1HTR6CTSB
SCHEMBL1022439 0.84 ADRB1 (0.51) HTR2CHTR2BADRB1HTR6HTR1A
SCHEMBL3059952 0.84 CNR1 (0.48) HTR2CHTR2BADRB1HTR6OPRL1
SCHEMBL2007325 0.84 TAAR1 (0.51) HTR2CHTR2BADRB1HTR6HTR1A
SCHEMBL2006176 0.81 HTR6 (0.49) HTR6CNR1
SCHEMBL2008099 0.81 HTR2B (0.45) HTR2CHTR2BHTR6CNR1KMT2A
SCHEMBL2008345 0.81 ADRB1 (0.47) HTR2BADRB1HTR6HTR1AHTR3A
SCHEMBL2008851 0.81 SOS1 (0.50) HTR6OPRL1CNR1CETPSOS1

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 9 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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
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
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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
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 HTR2C 1846/4885HTR2B 2061/4885ADRB1 257/4885

“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.