SCHEMBL6324751

SCHEMBL6324751

Cn1cccc1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CES1 P23141 2/20 0.49
CES2 O00748 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TSHR P16473 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 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
SCHEMBL7466939 0.84 ALDH1A1 (0.56) ALDH1A1MAPTCES1CES2TSHR
SCHEMBL5216279 0.78 LMNA (0.54) SRD5A2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL5215323 0.78 ALDH1A1 (0.56) POLBLMNAALDH1A1MAPT
SCHEMBL7081998 0.77 SMN1; SMN2 (0.67) MAPK1POLBGAAALDH1A1MAPT
SCHEMBL6771037 0.77 ALDH1A1 (0.62) MAPK1LMNAGAAALDH1A1MAPT
SCHEMBL5223686 0.77 SMN1; SMN2 (0.62) SRD5A2MAPK1POLBALDH1A1MAPT
SCHEMBL6331530 0.77 SMN1; SMN2 (0.46) LMNAALDH1A1MAPTL3MBTL1HDAC3
SCHEMBL9013254 0.77 MEN1 (0.50) LMNAALDH1A1MAPT
SCHEMBL15648678 0.76 L3MBTL1 (0.54) SRD5A2MAPK1POLBLMNAGAA
SCHEMBL526662 0.75 SMN1; SMN2 (0.58) POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US disclosed
EP-1154996-B1 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO MCNEIL PHARM INC (US) 2003-11-05 EP disclosed
US-6369228-B2 ANTICONVULSANTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-09 US disclosed
US-20010044452-A1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain CARSON JOHN R (US) 2001-11-22 US disclosed
EP-1154996-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN Ortho-McNeil Pharmaceutical, Inc. (US) 2001-11-21 EP disclosed
US-6191142-B1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-02-20 US disclosed
WO-2000048584-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-24 WO disclosed
US-5565456-A Anxiolytic aroyl piperidinyl and piperazinylacyl pyrroles ORTHO PHARMACEUCTICAL CORPORATION (US) 1996-10-15 US disclosed
US-5418236-A Anxiolytic aroyl piperidinyl and piperazinylacyl pyrroles ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-23 US disclosed
US-5332736-A Anti-convulsant aroyl aminoacylpyrroles ORTHO PHARMACEUTICAL CORPORATION (US) 1994-07-26 US 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-20010044452-A1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain OPRL1, AADAT, OPRK1 SRD5A2 3574/4885MAPK1 4284/4885POLB 3214/4885
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 SRD5A2 182/4885MAPK1 907/4885POLB 3150/4885

“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.