SCHEMBL10245926

SCHEMBL10245926

O=Nc1cccc(OCC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ GPR3 P46089 1/20 0.42
▸ CTSA P10619 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 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
SCHEMBL7238854 0.82 MAPT (0.40) MAPTHTTMEN1LMNAKMT2A
SCHEMBL13349912 0.82 MAOB (0.50) —
SCHEMBL10972329 0.81 MAPT (0.59) MAPTHTTMEN1LMNAKMT2A
SCHEMBL15139534 0.78 ALDH1A1 (0.42) MAPTHTTMEN1LMNAKMT2A
SCHEMBL28167311 0.77 MPI (0.49) MAPTHTTGAAGPR3ALDH1A1
SCHEMBL4719175 0.77 MAPT (0.46) MAPTHTTMEN1LMNAKMT2A
SCHEMBL5532468 0.77 TP53 (0.53) MAPTHTTMEN1LMNAKMT2A
SCHEMBL30167649 0.74 L3MBTL1 (0.55) MAPTHTTLMNAKMT2AALDH1A1
SCHEMBL28221173 0.74 MAPT (0.47) MAPTHTTMEN1LMNAKMT2A
SCHEMBL14878920 0.74 MAPK1 (0.37) HTTLMNAKMT2ASMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 — — WO 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS MAPT 3654/4885HTT 3258/4885MEN1 4840/4885

“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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