Sugi Predict

Sugi Predict / Compounds / SCHEMBL6151811

SCHEMBL6151811

SCHEMBL6151811

CC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ GAA P10253 3/20 0.55
▸ PKM P14618 2/20 0.55
▸ PDE7A Q13946 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TBXA2R P21731 2/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ RORC P51449 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL23041342 0.81 MAPT (0.55) MEN1KMT2AGAAPKMHSD17B10
SCHEMBL13860469 0.80 HSD17B10 (0.54) MEN1KMT2AGAAPKMPDE7A
SCHEMBL30317898 0.79 HSPB1 (0.46) MEN1KMT2AGAAPKMPDE7A
SCHEMBL28488888 0.79 HSPB1 (0.46) MEN1KMT2AGAAPKMPDE7A
SCHEMBL1762503 0.79 KMT2A (0.61) MEN1KMT2AGAAPKMHSD17B10
SCHEMBL22069594 0.79 HSPB1 (0.61) MEN1KMT2AGAAPKMPDE7A
SCHEMBL5310179 0.79 HTR2A (0.54) —
Ammonia Solution, Strong SCHEMBL7466943 0.78 HSD17B10 (0.51) MEN1KMT2AGAAPKMPDE7A
SCHEMBL7454203 0.76 HTR2A (0.50) MEN1KMT2AGAAPKMPDE7A
SCHEMBL3884099 0.76 TDP1 (0.58) MEN1KMT2APKMMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 — — EP disclosed
US-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 — — US disclosed
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER INC. 2003-03-20 — — US disclosed
EP-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 — — EP disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 — — US disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 — — 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-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 MEN1 2213/4885KMT2A 1923/4885GAA 712/4885

“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.