SCHEMBL3026019

SCHEMBL3026019

CSc1ccc(-n2c(C)ccc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL2961956 0.88 PTGS2 (0.54) PTGS2MAPTALDH1A1PKMHTT
SCHEMBL13213674 0.84 PTGS2 (0.61) PTGS2MAPTALDH1A1PKMHTT
SCHEMBL3034062 0.82 PTGS2 (0.46) PTGS2MAPTALDH1A1PKMHTT
SCHEMBL6283140 0.81 MAPT (0.49) PTGS2MAPTALDH1A1PKMHTT
SCHEMBL7210133 0.80 PTGS2 (0.62) PTGS2MAPTALDH1A1PKMHTT
SCHEMBL8505839 0.80 PTGS2 (0.74) PTGS2MAPTALDH1A1KDM4EHPGD
SCHEMBL5312969 0.79 PTGS2 (0.57) PTGS2
SCHEMBL7215254 0.76 PTGS2 (0.78) PTGS2MAPTALDH1A1KDM4EHPGD
SCHEMBL3026333 0.76 PTGS2 (0.78) PTGS2MAPTALDH1A1KDM4EHPGD
SCHEMBL5314020 0.75 CHRNA7 (0.60) PTGS2

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
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 PTGS2 69/4885MAPT 1215/4885ALDH1A1 745/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS PTGS2 69/4885MAPT 1215/4885ALDH1A1 745/4885

“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.