SCHEMBL18094552

SCHEMBL18094552

Cc1cccc(-c2nsc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ ADORA3 P0DMS8 6/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ SORT1 Q99523 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GRM5 P41594 3/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ MPL P40238 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL18094538 0.85 ADORA3 (0.60) MAPTADORA3RXFP1LMNAGRM5
SCHEMBL18094482 0.82 TRPV1 (0.60) ADORA3RXFP1
SCHEMBL18094559 0.81 NTRK1 (0.49) MAPTADORA3RXFP1LMNAMPL
SCHEMBL18094576 0.81 ADORA3 (0.54) MAPTADORA3RXFP1LMNASTAT3
SCHEMBL18094459 0.80 SMN1; SMN2 (0.53) MAPTADORA3RXFP1MPLRAB9A
SCHEMBL18094484 0.80 PTGS1 (0.51) MAPTADORA3RXFP1LMNASTAT3
SCHEMBL18094557 0.80 MAPT (0.53) MAPTADORA3RXFP1SORT1LMNA
SCHEMBL18094536 0.78 MAPT (0.44) MAPTADORA3RXFP1STAT3MPL
SCHEMBL16718836 0.77 ADORA3 (0.49) MAPTADORA3RXFP1LMNASTAT3
SCHEMBL18094541 0.77 TRPV1 (0.54) ADORA3RXFP1

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-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US claimed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US claimed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160280700-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MAPT 2921/4885ADORA3 648/4885RXFP1 4100/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MAPT 2921/4885ADORA3 648/4885RXFP1 4100/4885

“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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