SCHEMBL3013319

SCHEMBL3013319

CCOC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)n(-c2cccc(S(C)(=O)=O)c2)c1C

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.53
LMNA P02545 2/20 0.51
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL3036106 0.89 CHRNA7 (0.67) CHRNA7LMNAPTGS1PTGS2TP53
SCHEMBL3013759 0.89 LMNA (0.63) CHRNA7LMNATP53MAPT
SCHEMBL3030312 0.88 CHRNA7 (0.68) CHRNA7TP53MAPT
SCHEMBL3025956 0.88 CHRNA7 (0.68) CHRNA7LMNAPTGS1PTGS2TP53
SCHEMBL3030712 0.88 CHRNA7 (0.68) CHRNA7LMNAPTGS1PTGS2TP53
SCHEMBL3025415 0.87 CHRNA7 (0.52) CHRNA7LMNAPTGS1PTGS2TP53
SCHEMBL3015060 0.85 CHRNA7 (0.47) CHRNA7LMNAPTGS1PTGS2TP53
SCHEMBL3032807 0.83 CHRNA7 (0.52) CHRNA7LMNAPTGS1PTGS2TP53
SCHEMBL3020470 0.82 CHRNA7 (0.78) CHRNA7PTGS2
SCHEMBL3022189 0.82 TP53 (0.49) CHRNA7LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US claimed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US claimed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US claimed
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 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 (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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS CHRNA7 4801/4885LMNA 3511/4885PTGS1 79/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS CHRNA7 4801/4885LMNA 3511/4885PTGS1 79/4885

“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.