SCHEMBL3050035

SCHEMBL3050035

CCc1nnc(NC(=O)N2CCN(c3nc(Cc4ccc(F)cc4)ns3)CC2C)s1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KIT P10721 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2010158 0.85 ALDH1A1 (0.48) TRPV1KDM4EALDH1A1KITTP53
SCHEMBL2008819 0.83 NAAA (0.41) TRPV1SMN1; SMN2KDM4EALDH1A1KIT
SCHEMBL8236761 0.82 FAAH (0.44) TRPV1KDM4EALDH1A1KITMEN1
SCHEMBL2008277 0.81 CHRM4 (0.41) TRPV1SMN1; SMN2ALDH1A1KIT
SCHEMBL2007919 0.81 CNR1 (0.48) TRPV1LMNAKIT
SCHEMBL2009642 0.81 TRPV1 (0.46) TRPV1KIT
SCHEMBL2003885 0.81 ROCK2 (0.42) TRPV1KIT
SCHEMBL2006228 0.81 FAAH (0.47) TRPV1LMNAKIT
SCHEMBL2010161 0.80 CYP2C9 (0.45) TRPV1SMN1; SMN2ALDH1A1KITTP53
SCHEMBL2009517 0.80 PI4KB (0.43) TRPV1SMN1; SMN2LMNAALDH1A1KIT

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 TRPV1 2537/4885SMN1; SMN2 4/4885LMNA 1113/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TRPV1 2537/4885SMN1; SMN2 4/4885LMNA 1113/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TRPV1 2537/4885SMN1; SMN2 4/4885LMNA 1113/4885

“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.