SCHEMBL18094586

SCHEMBL18094586

O=C(Nc1nc(-c2ccc(Nc3cccnc3)cn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.55
▸ MPL P40238 7/20 0.52
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TNF P01375 1/20 0.49
▸ NOD1 Q9Y239 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TRPV1 Q8NER1 2/20 0.48
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ NAMPT P43490 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ KCNE1 P15382 1/20 0.43
▸ KCNQ1 P51787 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
SCHEMBL18094579 0.91 MPL (0.50) MPLNPC1RAB9ATRPV1MEN1
SCHEMBL18094577 0.86 MPL (0.52) MPLNPC1RAB9ATRPV1
SCHEMBL18094484 0.83 PTGS1 (0.51) MPLTRPV1KCNQ3KCNQ2KCNE1
SCHEMBL16718785 0.82 LMNA (0.53) MPLTRPV1KCNQ3KCNQ2KCNE1
SCHEMBL18094559 0.80 NTRK1 (0.49) EPHX2MPLMEN1TSHRKMT2A
SCHEMBL18094576 0.79 ADORA3 (0.54) TRPV1
SCHEMBL18094534 0.79 LMNA (0.55) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL18094482 0.79 TRPV1 (0.60) TRPV1
SCHEMBL18094561 0.79 ADORA3 (0.56) MPLNPC1RAB9ATRPV1MEN1
SCHEMBL18094565 0.78 ADORA3 (0.57) NPC1RAB9AMEN1TSHRKMT2A

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 EPHX2 1037/4885MPL 598/4885NPC1 1220/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 EPHX2 1037/4885MPL 598/4885NPC1 1220/4885

“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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