SCHEMBL5477516

SCHEMBL5477516

CCSc1nc2ccsc2c(=O)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.50
▸ LMNA P02545 4/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ APLNR P35414 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TSHR P16473 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PDE7A Q13946 1/20 0.43

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
SCHEMBL5484760 0.78 APLNR (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5470187 0.73 APLNR (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7512775 0.72 KMT2A (0.53) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL7512786 0.72 KMT2A (0.53) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL13467800 0.72 L3MBTL1 (0.80) ALDH1A1LMNAMAPTSMN1; SMN2PKM
SCHEMBL5477511 0.72 ALDH1A1 (0.44) ALDH1A1LMNANPSR1MAPTSMN1; SMN2
SCHEMBL7512782 0.71 ALDH1A1 (0.41) ALDH1A1LMNANPSR1MAPTGAA
SCHEMBL5477513 0.70 ALDH1A1 (0.54) ALDH1A1LMNANPSR1MAPTGAA
SCHEMBL5477520 0.69 PDE7A (0.59) ALDH1A1LMNANPSR1GAAMEN1
SCHEMBL7509354 0.69 PDE7A (0.41) ALDH1A1LMNAGAAMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 — — 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 (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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 ALDH1A1 825/4885LMNA 4257/4885NPSR1 236/4885

“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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