SCHEMBL1983177

SCHEMBL1983177

O=Cc1ccc([N+](=O)[O-])cc1OCCF

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
ERN1 O75460 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SNCA P37840 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CYP19A1 P11511 5/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
S1PR4 O95977 1/20 0.40
PTPN1 P18031 1/20 0.39
CYP3A4 P08684 2/20 0.39
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 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
SCHEMBL28418478 0.85 ALDH1A1 (0.55) ALDH1A1MAPTERN1TSHRTDP1
SCHEMBL14035620 0.84 MAPT (0.57) ALDH1A1MAPTERN1TSHRTDP1
SCHEMBL22502367 0.83 CYP19A1 (0.57) ALDH1A1MAPTERN1TSHRTDP1
SCHEMBL1669597 0.82 ALDH1A1 (0.50) ALDH1A1MAPTERN1LMNACYP19A1
SCHEMBL9471932 0.82 CYP19A1 (0.59) ALDH1A1MAPTERN1TSHRTDP1
SCHEMBL5655380 0.81 ALDH1A1 (0.47) ALDH1A1MAPTERN1TSHRTDP1
SCHEMBL10036151 0.79 HSD17B10 (0.51) ALDH1A1MAPTTSHRTDP1SNCA
SCHEMBL526474 0.79 TSHR (0.48) ALDH1A1MAPTTSHRTDP1SNCA
SCHEMBL16943506 0.79 ALDH1A1 (0.53) ALDH1A1MAPTTSHRTDP1SNCA
SCHEMBL8164842 0.79 ERN1 (0.53) ALDH1A1MAPTERN1TDP1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 ALDH1A1 2058/4885MAPT 1/4885ERN1 3085/4885

“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.