SCHEMBL18094527

SCHEMBL18094527

COc1cc(OC(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccn2)ns1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 6/20 0.48
▸ KLF5 Q13887 1/20 0.48
▸ TP53 P04637 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ADORA3 P0DMS8 3/20 0.45
▸ RAB9A P51151 6/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCS1 P62166 1/20 0.42

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
SCHEMBL18094514 0.88 THRB (0.45) MAPTSMN1; SMN2ADORA3
SCHEMBL18094584 0.85 MAPT (0.53) MAPTNPC1TP53SMN1; SMN2ADORA3
SCHEMBL18094572 0.84 MAPT (0.53) MAPTNPC1TP53SMN1; SMN2ADORA3
SCHEMBL18094494 0.83 TLR7 (0.54) ADORA3RXFP1
SCHEMBL18230494 0.80 NPC1 (0.49) MAPTNPC1KLF5TP53SMN1; SMN2
SCHEMBL18094537 0.80 ADORA3 (0.53) MAPTNPC1ADORA3RAB9A
SCHEMBL18805810 0.79 MPL (0.52) MAPTTP53ADORA3LMNA
SCHEMBL18094560 0.79 MAPT (0.59) MAPTNPC1TP53SMN1; SMN2ADORA3
SCHEMBL18094502 0.78 ADORA3 (0.71) MAPTNPC1SMN1; SMN2ADORA3RAB9A
SCHEMBL18805807 0.77 POLB (0.42) MAPTTP53ADORA3LMNAMEN1

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 2921/4885NPC1 1220/4885KLF5 4176/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MAPT 2921/4885NPC1 1220/4885KLF5 4176/4885

“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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