SCHEMBL3030664

SCHEMBL3030664

CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc([N+](=O)[O-])cc2)c1C

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.71
MAPK1 P28482 1/20 0.61
CYP2D6 P10635 1/20 0.53
AR P10275 2/20 0.52
CA9 Q16790 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL16403251 0.90 CHRNA7 (0.81) CHRNA7MAPK1CYP2D6MAPT
SCHEMBL7167824 0.89 AR (0.59) CHRNA7ARMAPT
SCHEMBL3027578 0.84 CHRNA7 (0.77) CHRNA7MAPK1CYP2D6
SCHEMBL5922342 0.84 CHRNA7 (0.72) CHRNA7MAPK1MAPT
SCHEMBL2888752 0.84 CHRNA7 (0.72) CHRNA7MAPK1MAPT
SCHEMBL19808409 0.84 CHRNA7 (0.74) CHRNA7MAPK1CYP2D6MAPT
SCHEMBL3015623 0.83 CHRNA7 (1.00) CHRNA7CYP2D6
SCHEMBL3020486 0.82 CHRNA7 (0.98) CHRNA7CYP2D6
SCHEMBL3035477 0.81 CHRNA7 (0.78) CHRNA7MAPK1CYP2D6
SCHEMBL7192981 0.79 LMNA (0.62) CHRNA7ARMAPT

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 4 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 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
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS CHRNA7 4801/4885MAPK1 4366/4885CYP2D6 253/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS CHRNA7 4801/4885MAPK1 4366/4885CYP2D6 253/4885

“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.