SCHEMBL6568868

SCHEMBL6568868

COc1ccc(OC(F)(F)F)cc1/C=N/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.45
▸ MGAM O43451 1/20 0.45
▸ SI P14410 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ MAPT P10636 9/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ TLR9 Q9NR96 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL6568870 1.00 GAA (0.45) GAAMGAMSIMGAM2MAPT
SCHEMBL6570110 0.90 TLR9 (0.46) GAAMGAMSIMGAM2MAPT
SCHEMBL6570109 0.90 TLR9 (0.46) GAAMGAMSIMGAM2MAPT
SCHEMBL6570287 0.88 TLR9 (0.51) GAAMAPTALDH1A1TLR9MEN1
SCHEMBL6570281 0.88 TLR9 (0.51) GAAMAPTALDH1A1TLR9MEN1
SCHEMBL6568880 0.82 TLR9 (0.45) GAAMGAMSIMGAM2MAPT
SCHEMBL6568877 0.82 TLR9 (0.45) GAAMGAMSIMGAM2MAPT
SCHEMBL6570168 0.82 MAPT (0.46) GAAMAPTALDH1A1TLR9MEN1
SCHEMBL6567333 0.79 ALDH1A1 (0.54) GAAMGAMSIMGAM2MAPT
SCHEMBL6567337 0.79 ALDH1A1 (0.54) GAAMGAMSIMGAM2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483227-A1 THE PURIFICATION OF 2-METHOXY-5-TRIFLUOROMETHOXYBENZALDEHYDE Pfizer Products Inc. (US) 2004-12-08 — — EP claimed
US-6686507-B2 IMINATION BY REACTING WITH A NITROANILINE; ISOLATING SOLID; LIQUEFACTION AND CONVERTING BACK PFIZER INC 2004-02-03 — — US claimed
US-20030176741-A1 Purification of 2-methoxy-5-trifluoromethoxybenzaldehyde PFIZER INC. 2003-09-18 — — US claimed
WO-2003074462-A1 THE PURIFICATION OF 2-METHOXY-5-TRIFLUOROMETHOXYBENZALDEHYDE PFIZER PRODUCTS INC. (US) 2003-09-12 — — WO claimed
EP-1483227-A1 THE PURIFICATION OF 2-METHOXY-5-TRIFLUOROMETHOXYBENZALDEHYDE Pfizer Products Inc. (US) 2004-12-08 — — EP disclosed
US-6686507-B2 IMINATION BY REACTING WITH A NITROANILINE; ISOLATING SOLID; LIQUEFACTION AND CONVERTING BACK PFIZER INC 2004-02-03 — — US disclosed
US-20030176741-A1 Purification of 2-methoxy-5-trifluoromethoxybenzaldehyde PFIZER INC. 2003-09-18 — — US disclosed
WO-2003074462-A1 THE PURIFICATION OF 2-METHOXY-5-TRIFLUOROMETHOXYBENZALDEHYDE PFIZER PRODUCTS INC. (US) 2003-09-12 — — 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-20030176741-A1 Purification of 2-methoxy-5-trifluoromethoxybenzaldehyde TH, PNMT, INMT GAA 2413/4885MGAM 166/4885SI 2433/4885

“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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