SCHEMBL3069078

SCHEMBL3069078

CC1CN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CCN1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDK2 Q15119 3/20 0.39
PDK1 Q15118 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
P2RX7 Q99572 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
SMO Q99835 6/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A7 Q99884 2/20 0.35
SRD5A2 P31213 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL3046098 0.92 GRM5 (0.45) TACR3KCNH2SMONPC1RAB9A
SCHEMBL3063142 0.89 SMO (0.38) SMONPC1RAB9AMEN1KMT2A
SCHEMBL3062959 0.85 TACR3 (0.47) TACR3KCNH2
SCHEMBL3052252 0.85 MEN1 (0.36) SMONPC1RAB9AMEN1KMT2A
SCHEMBL3056129 0.84 RAB9A (0.39) SMONPC1RAB9ASLC6A7
SCHEMBL3064103 0.82 MGLL (0.41) SMONPC1RAB9AMEN1KMT2A
SCHEMBL3045813 0.82 ALDH1A1 (0.44) SMONPC1RAB9AMEN1KMT2A
SCHEMBL3055311 0.81 NAAA (0.35) P2RX7SMONPC1RAB9A
SCHEMBL3055314 0.81 NAAA (0.37) NPC1RAB9AMEN1KMT2A
SCHEMBL3052701 0.81 PDE4B (0.41)

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 TACR3 368/4885KCNH2 4543/4885PDK2 595/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TACR3 368/4885KCNH2 4543/4885PDK2 595/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TACR3 368/4885KCNH2 4543/4885PDK2 595/4885

“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.