SCHEMBL16742058

SCHEMBL16742058

Cc1ccc(-c2csc(NN=Cc3ccccc3O)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.64
▸ GAA P10253 6/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ MAPT P10636 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ DHODH Q02127 1/20 0.60
▸ MGAM O43451 1/20 0.60
▸ SI P14410 1/20 0.60
▸ MGAM2 Q2M2H8 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.58
▸ MAOA P21397 3/20 0.55
▸ MAOB P27338 1/20 0.55
▸ PTGS2 P35354 1/20 0.53
▸ LMNA P02545 2/20 0.52

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
SCHEMBL16742057 1.00 GUSB (0.64) GUSBGAAMEN1MAPTKMT2A
SCHEMBL16742020 0.88 GUSB (0.64) GUSBGAAMEN1MAPTKMT2A
SCHEMBL16742019 0.88 GUSB (0.64) GUSBGAAMEN1MAPTKMT2A
SCHEMBL25613862 0.88 GUSB (0.67) GUSBGAAMEN1MAPTKMT2A
SCHEMBL19631410 0.84 DHODH (0.85) GUSBGAAMEN1MAPTKMT2A
SCHEMBL20956437 0.84 DHODH (0.85) GUSBGAAMEN1MAPTKMT2A
SCHEMBL25614468 0.82 DHODH (0.68) GUSBGAAMEN1MAPTKMT2A
SCHEMBL25613885 0.81 GAA (0.72) GUSBGAAMEN1MAPTKMT2A
SCHEMBL14567100 0.80 PTGS2 (0.63) GUSBGAAMEN1MAPTKMT2A
SCHEMBL1068115 0.80 MAPT (0.74) GAAMEN1MAPTKMT2ARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 — — US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 — — EP disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 — — WO 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 (1 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-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH GUSB 1002/4885GAA 167/4885MEN1 4519/4885

“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.

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