SCHEMBL1019346

SCHEMBL1019346

CNCCN(C)c1nc(Cc2ccc(F)c(C)c2)ns1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.34
NOS2 P35228 7/20 0.34
NOS1 P29475 4/20 0.34
MMP13 P45452 1/20 0.32
DAO P14920 1/20 0.30
PIK3CD O00329 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL1019453 0.88 MPO (0.37) MPONOS2NOS1MMP13DAO
SCHEMBL1018376 0.84 TAAR1 (0.41) NOS2NOS1
SCHEMBL1021051 0.83 CARM1 (0.35) NOS2NOS1
SCHEMBL1021224 0.82 TAAR1 (0.46) NOS2NOS1
SCHEMBL1021422 0.82 TAAR1 (0.41) NOS2NOS1
SCHEMBL1022538 0.81 NOS1 (0.42) NOS2NOS1PIK3CD
SCHEMBL1023771 0.81 ALDH1A1 (0.44)
SCHEMBL1022413 0.79 ATM (0.38) NOS2NOS1
SCHEMBL1020504 0.78 MPO (0.32) MPOHDAC3HDAC1HDAC2HDAC8
SCHEMBL1022472 0.77 MPO (0.36) MPOMMP13DAOHDAC3HDAC1

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 MPO 3448/4885NOS2 3358/4885NOS1 2433/4885

“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.