SCHEMBL3065602

SCHEMBL3065602

O=C(c1ccoc1Br)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR1 P21554 1/20 0.40
LMNA P02545 2/20 0.39
FAAH O00519 3/20 0.39
RUVBL1 Q9Y265 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
NAAA Q02083 2/20 0.37
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2003426 0.80 HTT (0.47) MAPTALDH1A1CNR1FAAHUSP2
SCHEMBL2008943 0.79 FAAH (0.52) MAPTCNR1LMNAFAAHMAPK1
SCHEMBL2007173 0.78 POLB (0.59) MAPTALDH1A1CNR1LMNAFAAH
SCHEMBL3055112 0.78 CNR1 (0.45) MAPTALDH1A1CYP1A2CYP2C19CNR1
SCHEMBL2002975 0.78 HSP90AA1 (0.57) KMT2A
SCHEMBL2009579 0.78 CNR1 (0.53) CYP2C19CNR1RUVBL1SMN1; SMN2KMT2A
SCHEMBL2007046 0.78 CNR1 (0.53) CYP2C19CNR1RUVBL1SMN1; SMN2KMT2A
SCHEMBL2008436 0.77 FAAH (0.52) MAPTALDH1A1CYP1A2CYP2C19FAAH
SCHEMBL3055115 0.77 CNR1 (0.45) MAPTCNR1FAAHUSP2MAPK1
SCHEMBL2007994 0.77 HSP90AA1 (0.45) MAPTCNR1LMNAFAAHMAPK1

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 MAPT 9/4885ALDH1A1 1930/4885CYP1A2 2850/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885ALDH1A1 1930/4885CYP1A2 2850/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885ALDH1A1 1930/4885CYP1A2 2850/4885

“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.