SCHEMBL4330380

SCHEMBL4330380

COc1ccc(-c2ccc([N+](=O)[O-])c(N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TDP1 Q9NUW8 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTR7 P34969 1/20 0.50
▸ HTT P42858 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 4/20 0.45
▸ APP P05067 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ G6PD P11413 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RXFP1 Q9HBX9 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
SCHEMBL717794 0.87 MAPT (0.71) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL313815 0.86 MAPT (0.68) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL31365106 0.86 MAPT (0.68) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL1663978 0.85 ALDH1A1 (0.54) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL3973537 0.84 MAPT (0.69) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL5955457 0.84 ALDH1A1 (0.60) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL20788527 0.84 MAPT (0.57) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL28874514 0.81 ALOX5 (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL20529653 0.80 MAPT (0.49) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11404385 0.80 MAPT (0.52) MAPTALDH1A1LMNATDP1MEN1

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
US-7569688-B2 Propane-1, 3-dione derivative ASTELLAS PHARMA INC. (JP) 2009-08-04 — — US disclosed
EP-1300398-B1 PROPANE-1,3-DIONE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-04-05 — — EP disclosed
US-20050267110-A1 Propane-1, 3-dione derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-12-01 — — US disclosed
US-6960591-B2 Propane-1,3-dione derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 — — US disclosed
US-20030191164-A1 Propane-1,3-dione derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 — — US disclosed
EP-1300398-A1 PROPANE-1,3-DIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-09 — — 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 (2 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-20030191164-A1 Propane-1,3-dione derivatives GNRHR, GPER1, FSHR MAPT 2864/4885ALDH1A1 1848/4885LMNA 1986/4885
US-20050267110-A1 Propane-1, 3-dione derivative GNRHR, GPER1, FSHR MAPT 3016/4885ALDH1A1 1748/4885LMNA 2062/4885

“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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