SCHEMBL3045813

SCHEMBL3045813

CC1CN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CCN1C(=O)c1ccc2c(c1)nnn2C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HSD11B1 P28845 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
HCAR3 P49019 1/20 0.36
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
SMO Q99835 2/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
NAAA Q02083 2/20 0.33

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
SCHEMBL3063142 0.83 SMO (0.38) RAB9AMEN1KMT2ANPC1PDGFRB
SCHEMBL3069078 0.82 TACR3 (0.40) RAB9AMEN1KMT2ANPC1SMO
SCHEMBL3046098 0.82 GRM5 (0.45) RAB9AMEN1KMT2ANPC1SMO
SCHEMBL3062959 0.82 TACR3 (0.47)
SCHEMBL3052701 0.80 PDE4B (0.41) PDGFRBPDGFRA
SCHEMBL3052252 0.80 MEN1 (0.36) PKMRAB9AMEN1KMT2ANPC1
SCHEMBL3063672 0.79 TACR3 (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1SMO
SCHEMBL3055314 0.79 NAAA (0.37) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL3056129 0.79 RAB9A (0.39) HPGDSMN1; SMN2RAB9ANPC1SMO
SCHEMBL3055311 0.78 NAAA (0.35) RAB9ANPC1PDGFRBPDGFRASMO

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 ALDH1A1 1930/4885HSD11B1 136/4885PKM 1944/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885HSD11B1 136/4885PKM 1944/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885HSD11B1 136/4885PKM 1944/4885

“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.