SCHEMBL21625

SCHEMBL21625

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ TSHR P16473 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PDE7A Q13946 2/20 0.41
▸ USP7 Q93009 1/20 0.40
▸ PDE7B Q9NP56 1/20 0.40
▸ GSTP1 P09211 1/20 0.39
▸ GSTM2 P28161 1/20 0.39
▸ USP47 Q96K76 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38

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
SCHEMBL810413 0.81 MAPT (0.53) MAPTTSHRALDH1A1PDE7APDE7B
SCHEMBL22531 0.78 HTT (0.39) MAPTALDH1A1PDE7AUSP7PDE7B
SCHEMBL15022619 0.75 SMN1; SMN2 (0.39) TSHRALDH1A1ALOX15SMN1; SMN2TDP1
SCHEMBL6936141 0.73 MAPT (0.62) MAPTTSHRALDH1A1PDE7APDE7B
SCHEMBL6936135 0.73 MAPT (0.62) MAPTTSHRALDH1A1PDE7APDE7B
SCHEMBL6936618 0.72 MAPT (0.57) MAPTALDH1A1PDE7AGAASMN1; SMN2
SCHEMBL11495179 0.71 PDE7A (0.51) MAPTTSHRALDH1A1PDE7APDE7B
SCHEMBL7185665 0.70 PDE7A (0.44) MAPTTSHRALDH1A1PDE7APDE7B
SCHEMBL2352240 0.69 TSHR (0.54) MAPTTSHRALDH1A1GAASMN1; SMN2
SCHEMBL8053279 0.69 TSHR (0.58) MAPTTSHRALDH1A1GAASMN1; SMN2

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 MAPT 1612/4885TSHR 4320/4885ALDH1A1 995/4885

“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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