SCHEMBL1020159

SCHEMBL1020159

CNCCN(C)c1nc(Cc2ccc(OC)cc2)ns1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.48
PRMT1 Q99873 4/20 0.44
PIK3CD O00329 2/20 0.40
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 2/20 0.36
HTR6 P50406 1/20 0.36
AOC3 Q16853 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1020111 0.86 NOS2 (0.44) NOS2ALDH1A1CYP2D6ATMLMNA
SCHEMBL1020554 0.86 CHRM2 (0.48) NOS2PIK3CDALDH1A1LMNASMN1; SMN2
SCHEMBL1021051 0.86 CARM1 (0.35) NOS2PRMT1LTA4HHTR6
SCHEMBL1022033 0.85 ALDH1A1 (0.51) NOS2ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL1021422 0.85 TAAR1 (0.41) NOS2PRMT1MAPTMAPK1L3MBTL1
SCHEMBL1018376 0.85 TAAR1 (0.41) NOS2SMN1; SMN2MAPK1HTR6AOC3
SCHEMBL1022413 0.84 ATM (0.38) NOS2ALDH1A1ATML3MBTL1
SCHEMBL1020919 0.82 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1020706 0.81 ALDH1A1 (0.55) NOS2ALDH1A1SMN1; SMN2MAPT
SCHEMBL1020152 0.81 MEN1 (0.48) NOS2ALDH1A1SMN1; SMN2TSHR

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 NOS2 3358/4885PRMT1 3622/4885PIK3CD 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.