SCHEMBL18094493

SCHEMBL18094493

O=C(Nc1nc(-c2ccc(C3=CCOCC3)cn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ADORA3 P0DMS8 5/20 0.38
▸ MPL P40238 2/20 0.38
▸ STAT3 P40763 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ BTK Q06187 1/20 0.37

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
SCHEMBL18094484 0.80 PTGS1 (0.51) MCHR1LMNAADORA3MPLSTAT3
SCHEMBL18094561 0.80 ADORA3 (0.56) LMNAADORA3MPLMAPTSMN1; SMN2
SCHEMBL16718785 0.77 LMNA (0.53) LMNAADORA3MPLSTAT3MAPT
SCHEMBL18094547 0.77 LRRK2 (0.57) LMNASTAT3MAPTSMN1; SMN2BTK
SCHEMBL18094534 0.77 LMNA (0.55) LMNAADORA3STAT3MAPTRXFP1
SCHEMBL18094576 0.77 ADORA3 (0.54) LMNAADORA3STAT3MAPTRXFP1
SCHEMBL18094565 0.75 ADORA3 (0.57) LMNAADORA3MAPTSMN1; SMN2TP53
SCHEMBL18094507 0.74 STAT3 (0.43) LMNAADORA3STAT3MAPTRXFP1
SCHEMBL18094571 0.74 LRRK2 (0.46) MCHR1LMNAADORA3MPLSTAT3
SCHEMBL18094563 0.73 LRRK2 (0.45) MCHR1LMNAADORA3MPLSTAT3

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 6 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
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — 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 (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 MCHR1 1785/4885LMNA 4191/4885ADORA3 648/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MCHR1 1785/4885LMNA 4191/4885ADORA3 648/4885

“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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