SCHEMBL2008512

SCHEMBL2008512

Cc1ccccc1Cc1nsc(N2CC(C)NCC2C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR6 P50406 1/20 0.35
PIK3CD O00329 1/20 0.35
PIM1 P11309 1/20 0.35
PRKCI P41743 1/20 0.35
HTR2B P41595 3/20 0.34
SIGMAR1 Q99720 2/20 0.34
HDAC1 Q13547 1/20 0.32
FFAR1 O14842 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 2/20 0.31
TRPC5 Q9UL62 1/20 0.31
ACHE P22303 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2012276 0.88 HTR6 (0.36) HTR2CHTR6PIM1PRKCIHTR2B
SCHEMBL2004244 0.86 HTR6 (0.39) HTR2CHTR6PIM1PRKCISIGMAR1
SCHEMBL2006358 0.85 SIGMAR1 (0.43) HTR2CHTR6PIM1PRKCIHTR2B
SCHEMBL2008870 0.82 HTR6 (0.39) HTR2CHTR6PRKCIHTR2BFFAR1
SCHEMBL2004679 0.81 HTR6 (0.38) HTR2CHTR6PIK3CDPIM1PRKCI
SCHEMBL2010491 0.79 PRKCI (0.35) PIK3CDPIM1PRKCISIGMAR1
SCHEMBL2006211 0.79 SIGMAR1 (0.38) HTR2CHTR6PIM1PRKCIHTR2B
SCHEMBL2006785 0.79 PRKCI (0.35) HTR2CHTR6PIM1PRKCIHTR2B
SCHEMBL2008339 0.78 HTR6 (0.39) HTR2CHTR6HTR2BSIGMAR1KMT2A
SCHEMBL2012429 0.77 HTR6 (0.36) HTR6PIM1PRKCICYP3A4CYP2D6

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 HTR2C 1846/4885HTR6 2082/4885PIK3CD 1203/4885

“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.