SCHEMBL1019350

SCHEMBL1019350

CNCCN(C)c1nc(Cc2ccccc2C)ns1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.36
HTR6 P50406 1/20 0.34
PRMT1 Q99873 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LTA4H P09960 1/20 0.33
CARM1 Q86X55 1/20 0.32
USP2 O75604 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL1019398 0.86 TAAR1 (0.43) HTR6PRMT1HTR2CHTR2BCARM1
SCHEMBL1022370 0.86 TAAR1 (0.38) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1020739 0.84 CHRM2 (0.38) PIK3CDHTR6NOS2LTA4H
SCHEMBL1022413 0.83 ATM (0.38) NOS1NOS2HTR2C
SCHEMBL2010437 0.79 ALDH1A1 (0.43) USP2
SCHEMBL1021051 0.79 CARM1 (0.35) HTR6PRMT1NOS1NOS2LTA4H
SCHEMBL1022538 0.78 NOS1 (0.42) PIK3CDHTR6CYP2D6CYP2C9CYP2C19
SCHEMBL1019346 0.76 MPO (0.34) PIK3CDNOS1NOS2
SCHEMBL1021422 0.75 TAAR1 (0.41) HTR6PRMT1NOS1NOS2CARM1
SCHEMBL1018376 0.75 TAAR1 (0.41) HTR6NOS1NOS2

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 PIK3CD 1203/4885HTR6 2082/4885PRMT1 3622/4885

“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.