SCHEMBL3063301

SCHEMBL3063301

O=C(Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC9A1 P19634 1/20 0.45
S1PR4 O95977 1/20 0.43
FTO Q9C0B1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4134141 0.89 MEN1 (0.44) MEN1KMT2AHTTSMN1; SMN2S1PR4
SCHEMBL4946316 0.89 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30370342 0.89 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL13078465 0.87 MEN1 (0.56) MEN1KMT2AHTTSMN1; SMN2SLC9A1
SCHEMBL13044122 0.84 MEN1 (0.53) MEN1KMT2AHTTSMN1; SMN2SLC9A1
SCHEMBL4944264 0.82 SLC9A1 (0.71) SLC9A1
SCHEMBL4944262 0.80 MEN1 (0.55) MEN1KMT2AHTTSMN1; SMN2SLC9A1
SCHEMBL6355620 0.78 MEN1 (0.51) MEN1KMT2AHTTSMN1; SMN2S1PR4
SCHEMBL14472215 0.78 MEN1 (0.51) MEN1KMT2AHTTSMN1; SMN2S1PR4
SCHEMBL27609990 0.77 FTO (0.45) MEN1KMT2AHTTSMN1; SMN2FTO

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 10 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP 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
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US disclosed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP disclosed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 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 (5 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 MEN1 4000/4885KMT2A 1757/4885HTT 782/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 MEN1 4000/4885KMT2A 1757/4885HTT 782/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885HTT 2/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885HTT 2/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885HTT 2/4885

“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.