SCHEMBL5402417

SCHEMBL5402417

Cc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
DHFR P00374 2/20 0.46
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MLYCD O95822 1/20 0.44
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43
TP53 P04637 2/20 0.42
PHGDH O43175 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42

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
SCHEMBL5394351 0.87 KMT2A (0.51) MAPTNPSR1KMT2AHSD17B10DHFR
SCHEMBL7880012 0.82 MAPT (0.52) MAPTNPSR1KMT2AHSD17B10DHFR
SCHEMBL7886614 0.76 SCD (0.56) MAPTNPSR1KMT2AHSD17B10SMN1; SMN2
SCHEMBL3242066 0.74 DRD2 (0.48) MAPTNPSR1KMT2ADHFRPIK3CA
SCHEMBL3242089 0.74 TSHR (0.53) MAPTNPSR1KMT2AHSD17B10DHFR
SCHEMBL2494773 0.74 DHFR (0.59) MAPTNPSR1DHFRMTORTSHR
SCHEMBL7884723 0.74 ALDH1A1 (0.52) MAPTNPSR1KMT2AHSD17B10MEN1
SCHEMBL3243110 0.73 MGLL (0.49) MAPTNPSR1KMT2ADHFRPIK3CA
SCHEMBL4997745 0.70 PHGDH (0.50) MAPTNPSR1KMT2AHSD17B10DHFR
SCHEMBL7883356 0.70 MAPT (0.47) MAPTNPSR1KMT2AHSD17B10DHFR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993452-B1 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4-THIADIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-09-05 EP claimed
US-6833369-B2 Treatment of ocular neovascular diseases, neovascular glaucoma, diabetic retinopathy, JANSSEN PHARMACEUTICA, NV (BE) 2004-12-21 US claimed
US-20040009987-A9 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4,-THIADIAZOLYL DERIVATIVES STOKBROEKX RAYMOND ANTOINE (BE) 2004-01-15 US claimed
US-20030181460-A1 Angiogenesis inhibiting 5-substituted-1,2,4-thiadiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-25 US claimed
US-20020061890-A1 Angiogenesis inhibiting 5-substituted-1,2,4,-thiadiazolyl derivatives STOKBROEKX RAYMOND ANTOINE (BE) 2002-05-23 US claimed
EP-0993452-A1 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4-THIADIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-19 EP claimed
WO-1998058919-A1 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4-THIADIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-30 WO claimed
EP-0993452-B1 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4-THIADIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-09-05 EP disclosed
US-7208503-B2 Angiogenesis inhibiting 5-substituted-1,2,4-thiadiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-24 US disclosed
US-6833369-B2 Treatment of ocular neovascular diseases, neovascular glaucoma, diabetic retinopathy, JANSSEN PHARMACEUTICA, NV (BE) 2004-12-21 US disclosed
US-20040009987-A9 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4,-THIADIAZOLYL DERIVATIVES STOKBROEKX RAYMOND ANTOINE (BE) 2004-01-15 US disclosed
US-20030181460-A1 Angiogenesis inhibiting 5-substituted-1,2,4-thiadiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-25 US disclosed
US-20020061890-A1 Angiogenesis inhibiting 5-substituted-1,2,4,-thiadiazolyl derivatives STOKBROEKX RAYMOND ANTOINE (BE) 2002-05-23 US disclosed
EP-0993452-A1 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4-THIADIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-19 EP disclosed
WO-1998058919-A1 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4-THIADIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-30 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 (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-20040009987-A9 ANGIOGENESIS INHIBITING 5-SUBSTITUTED-1,2,4,-THIADIAZOLYL DERIVATIVES PTGS1, PTGER1, PTGIS MAPT 4880/4885NPSR1 1126/4885KMT2A 3747/4885
US-20030181460-A1 Angiogenesis inhibiting 5-substituted-1,2,4-thiadiazolyl derivatives PTGS1, PTGER1, ALOX15B MAPT 4874/4885NPSR1 1406/4885KMT2A 3560/4885
US-20020061890-A1 Angiogenesis inhibiting 5-substituted-1,2,4,-thiadiazolyl derivatives PTGS1, PTGER1, PTGIS MAPT 4880/4885NPSR1 1126/4885KMT2A 3747/4885

“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.