SCHEMBL3255238

SCHEMBL3255238

COc1ccc([N+](=O)[O-])cc1N1CCC(C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
MAPT P10636 3/20 0.58
RHOA P61586 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APEX1 P27695 1/20 0.46
SLC6A5 Q9Y345 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
SCHEMBL21644501 0.86 ALDH1A1 (0.54) TDP1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3257879 0.85 MAPT (0.67) TDP1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL2559544 0.84 TDP1 (0.70) TDP1MAPTRHOAALDH1A1HTT
SCHEMBL6978795 0.83 TDP1 (0.65) TDP1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL15658785 0.82 LMNA (0.56) TDP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15658784 0.82 LMNA (0.56) TDP1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL12716972 0.80 ALDH1A1 (0.79) TDP1MAPTRHOAALDH1A1HTT
SCHEMBL4865184 0.79 HTR6 (0.62) TDP1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL282269 0.79 HTR6 (0.52) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL9987106 0.79 TDP1 (0.74) TDP1MAPTRHOAALDH1A1HTT

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-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 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-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL TDP1 4830/4885MAPT 3921/4885RHOA 1368/4885

“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.