SCHEMBL3066648

SCHEMBL3066648

CC(C)Cc1cc(C(=O)Cl)no1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
RAB9A P51151 10/20 0.57
NPC1 O15118 8/20 0.57
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 7/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 1/20 0.55
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL17761981 0.84 MAPT (0.61) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1128727 0.84 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2791167 0.82 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2373540 0.79 SMN1; SMN2 (0.49) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL1225966 0.79 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL21938816 0.79 RAB9A (0.66) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL23189127 0.78 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3066466 0.77 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9593485 0.76 RAB9A (0.57) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL17761982 0.76 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2

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 ALDH1A1 1930/4885RAB9A 2845/4885NPC1 77/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885RAB9A 2845/4885NPC1 77/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885RAB9A 2845/4885NPC1 77/4885

“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.