SCHEMBL12568942

SCHEMBL12568942

COc1ccccc1CC(=N)N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
IDO1 P14902 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
Hydrochloric Acid SCHEMBL1019027 0.98 LMNA (0.62) LMNASMN1; SMN2IDO1TAAR1MAPT
SCHEMBL1010680 0.81 LMNA (0.64) LMNASMN1; SMN2IDO1TAAR1MAPT
Hydrochloric Acid SCHEMBL215796 0.80 L3MBTL1 (0.50) LMNASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL5780055 0.78 LMNA (0.51) LMNASMN1; SMN2IDO1TAAR1MAPT
Hydrochloric Acid SCHEMBL6860234 0.78 LMNA (0.51) LMNASMN1; SMN2IDO1TAAR1MAPT
SCHEMBL16698311 0.78 SMN1; SMN2 (1.00) LMNASMN1; SMN2IDO1TAAR1MAPT
SCHEMBL5780058 0.78 SMN1; SMN2 (1.00) LMNASMN1; SMN2IDO1TAAR1MAPT
SCHEMBL6618219 0.78 LMNA (0.59) LMNASMN1; SMN2IDO1TAAR1MAPT
SCHEMBL4686006 0.77 GAA (0.55) LMNASMN1; SMN2TAAR1MAPTGAA
SCHEMBL22190951 0.77 IDO1 (0.57) LMNASMN1; SMN2IDO1TAAR1MAPT

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 5 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
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
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 LMNA 1913/4885SMN1; SMN2 8/4885IDO1 2556/4885

“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.