SCHEMBL3049563

SCHEMBL3049563

Cn1nnc2cc(C(=O)N3CCN(c4nc(Cc5ccc(F)cc5)ns4)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.41
HCAR3 P49019 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CNR1 P21554 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3056472 0.85 HPGD (0.50) ALDH1A1HPGDSMN1; SMN2LMNAHCAR3
SCHEMBL2007046 0.81 CNR1 (0.53) SMN1; SMN2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2009579 0.81 CNR1 (0.53) SMN1; SMN2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2002975 0.79 HSP90AA1 (0.57) MEN1KMT2A
SCHEMBL2008943 0.79 FAAH (0.52) SMN1; SMN2LMNAMEN1KMT2ACNR1
SCHEMBL2008436 0.79 FAAH (0.52) ALDH1A1SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL2002840 0.79 MEN1 (0.47) ALDH1A1HPGDSMN1; SMN2LMNAMEN1
SCHEMBL3066941 0.79 CNR1 (0.45) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2007994 0.78 HSP90AA1 (0.45) SMN1; SMN2LMNACNR1MAPTHTT
SCHEMBL2009433 0.78 HTT (0.52) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A

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 1930/4885HPGD 1746/4885SMN1; SMN2 4/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885HPGD 1746/4885SMN1; SMN2 4/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885HPGD 1746/4885SMN1; 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.