SCHEMBL1920261

SCHEMBL1920261

CCOC(=O)c1c[nH]cc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.47
CACNA1D Q01668 3/20 0.46
CACNA1C Q13936 2/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1S Q13698 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL30740871 0.81 ALDH1A1 (0.49) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL1523174 0.80 ALDH1A1 (0.67) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL14502400 0.78 TSHR (0.53) MAPTALDH1A1TSHRNPSR1POLB
SCHEMBL11015709 0.77 ALDH1A1 (0.46) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL276058 0.77 MAPT (0.47) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL276916 0.77 ALDH1A1 (0.44) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL276323 0.77 AR (0.56) MAPTSMN1; SMN2GAACACNA1DADORA3
SCHEMBL3608541 0.77 ALDH1A1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL27675256 0.76 MAPT (0.55) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL1068721 0.76 MAPT (0.47) MAPTLMNAHTTALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326645-B9 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2013-04-17 EP disclosed
EP-2326645-B1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2012-11-07 EP disclosed
US-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMI. RIUN. ANG. FRANC. A.C.R.A.F. S.p.A. (IT) 2011-06-30 US disclosed
EP-2326645-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2011-06-01 EP disclosed
WO-2010012611-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-02-04 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-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT TPH1, TPH2, HTR1A MAPT 2246/4885LMNA 3321/4885HTT 759/4885

“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.