SCHEMBL3056764

SCHEMBL3056764

O=C(Cl)c1cc(C(Cl)Cl)on1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 17/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
TP53 P04637 3/20 0.35
MAPK1 P28482 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP2D6 P10635 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL10840486 0.83 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9173573 0.81 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL19328898 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL25242284 0.81 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL7229128 0.73
SCHEMBL52290 0.71
SCHEMBL3066466 0.68 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL3066648 0.67 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1S1PR1
SCHEMBL9817341 0.67 RAB9A (0.37) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL9315098 0.67 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885NPC1 77/4885RAB9A 2845/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885NPC1 77/4885RAB9A 2845/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMN1; SMN2 4/4885NPC1 77/4885RAB9A 2845/4885

“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.