SCHEMBL3022189

SCHEMBL3022189

CCOC(=O)c1cc(-c2ccc(-c3cnn(Cc4ccccc4)c3)cc2)n(-c2cccc(S(C)(=O)=O)c2)c1C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
CHRNA7 P36544 5/20 0.47
POLB P06746 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
SCHEMBL3013759 0.84 LMNA (0.63) TP53LMNAMAPTCHRNA7POLB
SCHEMBL3036106 0.83 CHRNA7 (0.67) TP53LMNAMAPTCHRNA7
SCHEMBL3013319 0.82 CHRNA7 (0.53) TP53LMNAMAPTCHRNA7
SCHEMBL3030712 0.82 CHRNA7 (0.68) TP53LMNAMAPTCHRNA7
SCHEMBL3030312 0.80 CHRNA7 (0.68) TP53MAPTCHRNA7
SCHEMBL3025956 0.80 CHRNA7 (0.68) TP53LMNAMAPTCHRNA7
SCHEMBL3030321 0.80 CHRNA7 (0.55) TP53LMNAMAPTCHRNA7
SCHEMBL3025415 0.79 CHRNA7 (0.52) TP53LMNAMAPTCHRNA7
SCHEMBL3015060 0.77 CHRNA7 (0.47) TP53LMNAMAPTCHRNA7
SCHEMBL3024935 0.77 TP53 (0.64) TP53LMNAMAPTCHRNA7POLB

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
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
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP claimed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US claimed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO 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 TP53 902/4885LMNA 3511/4885MAPT 1215/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS TP53 902/4885LMNA 3511/4885MAPT 1215/4885

“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.