SCHEMBL2005408

SCHEMBL2005408

Fc1cc(Br)ccc1CN1CCCNCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CXCR4 P61073 9/20 0.49
MEN1 O00255 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2C P18825 1/20 0.49
CCR2 P41597 1/20 0.49
CXCL12 P48061 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
OPRM1 P35372 6/20 0.46
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL626141 0.94 OPRM1 (0.49) KDM4ESMN1; SMN2CHRM2OPRM1TSHR
SCHEMBL1641009 0.86 KDM4E (0.67) KDM4ESMN1; SMN2TDP1OPRM1TSHR
SCHEMBL1427498 0.85 KDM4E (0.70) KDM4ESMN1; SMN2TDP1OPRM1TSHR
SCHEMBL23111614 0.79 TSHR (0.54) KDM4ESMN1; SMN2MEN1CHRM2KMT2A
SCHEMBL2924537 0.79 KDM4E (0.70) KDM4ESMN1; SMN2CHRM2TDP1ALDH1A1
Hydrochloric Acid SCHEMBL15568255 0.77 KDM4E (0.68) KDM4ESMN1; SMN2CXCR4CHRM2TDP1
Hydrochloric Acid SCHEMBL1238937 0.77 KDM4E (0.68) KDM4ESMN1; SMN2CXCR4CHRM2TDP1
SCHEMBL13940094 0.77 KDM4E (0.55) KDM4ESMN1; SMN2MEN1KMT2ATDP1
SCHEMBL2961101 0.76 KDM4E (0.49) KDM4ESMN1; SMN2CXCR4MEN1CHRM2
SCHEMBL20971765 0.76 CXCR3 (0.57) KDM4ESMN1; SMN2OPRM1

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 11 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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO 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 (4 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 KDM4E 4164/4885SMN1; SMN2 4/4885CXCR4 2210/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885SMN1; SMN2 4/4885CXCR4 2210/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885SMN1; SMN2 4/4885CXCR4 2210/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP KDM4E 4180/4885SMN1; SMN2 8/4885CXCR4 3145/4885

“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.