SCHEMBL3068161

SCHEMBL3068161

Cc1nc(-c2cc(C(=O)N3CCCN(c4nc(C5(c6ccccc6)CCC(=O)CC5)ns4)CC3)no2)cs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.38
NPC1 O15118 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 2/20 0.38
SCD5 Q86SK9 4/20 0.38
SCD O00767 1/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
TP53 P04637 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MGLL Q99685 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
SCHEMBL3044774 0.83 MGLL (0.44) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL3058469 0.81 FAAH (0.49) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3055722 0.76 MGLL (0.51) RAB9ANPC1ALDH1A1MGLL
SCHEMBL3064319 0.74 FAAH (0.51) RAB9AMAPTMAPK1GALR3NR2F2
SCHEMBL3060855 0.73 OPRD1 (0.45) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL3061317 0.72 MAPT (0.51) RAB9AKMT2AMAPTLMNAMAPK1
SCHEMBL3062369 0.72 FAAH (0.59) RAB9AMAPTMAPK1GALR3NR2F2
SCHEMBL3063737 0.72 FAAH (0.47) RAB9AMAPTMAPK1GALR3NR2F2
SCHEMBL3064214 0.72 KMT2A (0.41) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3045491 0.71 SLC6A7 (0.44) KMT2AMEN1HPGDMAPTALDH1A1

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 RAB9A 2845/4885NPC1 77/4885SMN1; SMN2 4/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885NPC1 77/4885SMN1; SMN2 4/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885NPC1 77/4885SMN1; SMN2 4/4885

“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.