SCHEMBL1020890

SCHEMBL1020890

Cc1cccc(Cc2nsc(N(C)CCN)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
HTR6 P50406 1/20 0.40
LTA4H P09960 1/20 0.38
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MPO P05164 1/20 0.34
ENPP1 P22413 1/20 0.34
ALDH1A1 P00352 4/20 0.34
IDO1 P14902 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1019214 0.86 HTR6 (0.41) TAAR1NOS1NOS2HTR6HTR2C
SCHEMBL1022538 0.86 NOS1 (0.42) NOS1NOS2HTR6LTA4HHTR2C
SCHEMBL1022394 0.85 CARM1 (0.41) TAAR1NOS1NOS2HTR6HTR2C
SCHEMBL1019394 0.84 TAAR1 (0.45) TAAR1HTR6LTA4HALDH1A1IDO1
SCHEMBL1021875 0.84 HTR6 (0.35) TAAR1NOS1NOS2HTR6LTA4H
SCHEMBL1019453 0.81 MPO (0.37) NOS1NOS2MPO
SCHEMBL1020728 0.78 AOC3 (0.36) TAAR1NOS2HTR6HTR2CHTR2B
SCHEMBL1021400 0.78 AOC3 (0.36) TAAR1HTR6HTR2BALDH1A1CYP2C9
SCHEMBL1022370 0.77 TAAR1 (0.38) TAAR1HTR6LTA4HHTR2CHTR2B
SCHEMBL1020110 0.77 POLB (0.40) ALDH1A1MEN1HPGDKMT2ANPC1

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 TAAR1 2621/4885NOS1 2433/4885NOS2 3358/4885

“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.