SCHEMBL5477513

SCHEMBL5477513

CCSc1nc2c(C(F)(F)F)csc2c(=O)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ PDE7A Q13946 4/20 0.52
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ GAA P10253 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE7B Q9NP56 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ ACHE P22303 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
SCHEMBL5484755 0.80 ALDH1A1 (0.56) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL5477520 0.76 PDE7A (0.59) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL5484762 0.73 ALDH1A1 (0.62) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL5477516 0.70 ALDH1A1 (0.50) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL5480398 0.70 PDE7A (0.56) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL18239988 0.69 PDE7A (1.00) ALDH1A1PDE7AMEN1KMT2ARAB9A
SCHEMBL5478280 0.68 PDE7A (0.56) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL5477126 0.68 PDE7A (0.56) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL13125310 0.67 APLNR (0.80) ALDH1A1PDE7AMEN1KMT2AGAA
SCHEMBL5433642 0.66 POLB (0.40) PDE7AMEN1KMT2ASMN1; SMN2LMNA

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 825/4885PDE7A 962/4885MEN1 4674/4885

“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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