SCHEMBL1021875

SCHEMBL1021875

Cc1ccc(Cc2nsc(N(C)CCN)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LTA4H P09960 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.34
NOS2 P35228 3/20 0.33
NOS1 P29475 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT1 Q99873 1/20 0.32
CNR1 P21554 1/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PRKCI P41743 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1021400 0.88 AOC3 (0.36) HTR6CYP1A2TAAR1CARM1PRMT1
SCHEMBL1022394 0.87 CARM1 (0.41) HTR6CYP1A2TAAR1NOS2NOS1
SCHEMBL1020111 0.85 NOS2 (0.44) HTR6TAAR1LTA4HNOS2MAPT
SCHEMBL1021051 0.85 CARM1 (0.35) HTR6LTA4HTRPV1MGLLNOS2
SCHEMBL1020890 0.84 TAAR1 (0.41) HTR6TAAR1LTA4HNOS2NOS1
SCHEMBL1019453 0.83 MPO (0.37) NOS2NOS1PRKCI
SCHEMBL1022370 0.78 TAAR1 (0.38) HTR6CYP1A2TAAR1LTA4HHTR2C
SCHEMBL1019214 0.78 HTR6 (0.41) HTR6TAAR1NOS2NOS1L3MBTL1
SCHEMBL1019394 0.76 TAAR1 (0.45) HTR6TAAR1LTA4HMAPTL3MBTL1
SCHEMBL1019764 0.76 AOC3 (0.40) HTR6TAAR1L3MBTL1HTR2CHTR2B

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 3 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
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP HTR6 2082/4885CYP1A2 3341/4885CYP2A6 4301/4885

“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.