SCHEMBL22531

SCHEMBL22531

Cc1cc([N+](=O)[O-])c(C)cc1Sc1cccc(OC(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PDE7A Q13946 2/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ PDE7B Q9NP56 1/20 0.36
▸ GSTP1 P09211 1/20 0.35
▸ GSTM2 P28161 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP7 Q93009 1/20 0.34

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
SCHEMBL21625 0.78 MAPT (0.42) HTTMAPTMEN1KMT2APDE7A
SCHEMBL22928 0.78 DHFR (0.36) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL6826580 0.74 MAPT (0.52) HTTMAPTMEN1KMT2ALMNA
SCHEMBL9299423 0.74 ALDH1A1 (0.50) HTTMAPTMEN1KMT2ALMNA
SCHEMBL29502892 0.74 ALDH1A1 (0.50) HTTMAPTMEN1KMT2ALMNA
SCHEMBL30714954 0.73 SMN1; SMN2 (0.35) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL28529383 0.69 RAB9A (0.35) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL20920141 0.69 ACHE (0.34) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL30166535 0.69 ACHE (0.34) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL20564139 0.68 SMN1; SMN2 (0.39) MAPTMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040457-B2 Phenylamidines having a high fungicidal activity and use thereof ISAGRO S.P.A. (IT) 2015-05-26 — — US disclosed
EP-2608666-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF ISAGRO S.p.A. (IT) 2013-07-03 — — EP disclosed
US-20130157851-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF ISAGRO S.P.A. (IT) 2013-06-20 — — US disclosed
WO-2012025450-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF ISAGRO RICERCA S.R.L. (IT) 2012-03-01 — — 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-20130157851-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF PAH, DPM1, PFAS HTT 2664/4885MAPT 1612/4885MEN1 2184/4885

“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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