SCHEMBL4054277

SCHEMBL4054277

Cc1cc([N+](=O)[O-])ccc1[NH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.67
▸ TSHR P16473 6/20 0.67
▸ TDP1 Q9NUW8 4/20 0.67
▸ CYP3A4 P08684 4/20 0.62
▸ ACHE P22303 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GPR35 Q9HC97 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 5/20 0.46
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ PDE2A O00408 1/20 0.46
▸ PDE5A O76074 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ APEX1 P27695 1/20 0.46

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
SCHEMBL5384814 0.83 TSHR (0.67) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL384312 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL29511002 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL30683694 0.78 ALDH1A1 (0.72) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL2948384 0.77 TSHR (0.69) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL85646 0.77 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
Methylamine SCHEMBL11819150 0.77 ALDH1A1 (0.91) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL4259186 0.77 ALDH1A1 (0.64) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL7356876 0.77 ALDH1A1 (0.69) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL10176626 0.76 ALDH1A1 (0.62) ALDH1A1TSHRTDP1CYP3A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 — — US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 — — US claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 — — US disclosed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 — — US disclosed
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 — — EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 — — US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 — — US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 — — EP disclosed
EP-0548980-A1 Frequency conversion device and process for producing the same HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 — — EP 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES ALDH1A1 483/4885TSHR 4772/4885TDP1 3288/4885

“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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